CompName
stringlengths 3
64
| SMILES
stringlengths 1
590
⌀ | Property
stringclasses 18
values | Value
float64 -268.93
426k
| unit
stringclasses 13
values | Source
stringclasses 1
value |
|---|---|---|---|---|---|
Uridine
|
O=C1NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
|
Partition coefficient
| -1.98 |
[-]
|
Wikipedia/Wikidata
|
Uridine
|
O=C1NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
|
Density
| 0.993 |
[g/cm3]
|
Wikipedia/Wikidata
|
Acetaldehyde
|
O=CC
|
Refractive index
| 1.3316 |
[-]
|
Wikipedia/Wikidata
|
Acetaldehyde
|
O=CC
|
Melting temperature
| -123.37 |
[oC]
|
Wikipedia/Wikidata
|
Acetaldehyde
|
O=CC
|
Partition coefficient
| -0.34 |
[-]
|
Wikipedia/Wikidata
|
Acetaldehyde
|
O=CC
|
Dipole Moment
| 2.7 |
[debye]
|
Wikipedia/Wikidata
|
Acetaldehyde
|
O=CC
|
Absolute standard enthalpy of formation
| 166 |
[kJ/mol]
|
Wikipedia/Wikidata
|
Acetaldehyde
|
O=CC
|
Boiling temperature
| 20.2 |
[oC]
|
Wikipedia/Wikidata
|
Adenosine monophosphate
|
O=P(O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O
|
Density
| 2.32 |
[g/cm3]
|
Wikipedia/Wikidata
|
Adenosine monophosphate
|
O=P(O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O
|
Boiling temperature
| 798.5 |
[oC]
|
Wikipedia/Wikidata
|
Ornithine
|
O=C(O)[C@@H](N)CCCN
|
Melting temperature
| 140 |
[oC]
|
Wikipedia/Wikidata
|
Ammonium nitrate
|
[O-][N+]([O-])=O.[NH4+]
|
Melting temperature
| 169.6 |
[oC]
|
Wikipedia/Wikidata
|
Ammonium nitrate
|
[O-][N+]([O-])=O.[NH4+]
|
Absolute molar magnetic susceptibility
| 33.6 |
[10^-6 cm3/mol]
|
Wikipedia/Wikidata
|
Ammonium nitrate
|
[O-][N+]([O-])=O.[NH4+]
|
Density
| 1.725 |
[g/cm3]
|
Wikipedia/Wikidata
|
Ammonium nitrate
|
[O-][N+]([O-])=O.[NH4+]
|
Boiling temperature
| 210 |
[oC]
|
Wikipedia/Wikidata
|
Isoprene
|
CC(=C)C=C
|
Melting temperature
| -143.95 |
[oC]
|
Wikipedia/Wikidata
|
Isoprene
|
CC(=C)C=C
|
Density
| 0.681 |
[g/cm3]
|
Wikipedia/Wikidata
|
Isoprene
|
CC(=C)C=C
|
Boiling temperature
| 34.067 |
[oC]
|
Wikipedia/Wikidata
|
Naphthalene
|
c1ccc2ccccc2c1
|
Melting temperature
| 78.2 |
[oC]
|
Wikipedia/Wikidata
|
Naphthalene
|
c1ccc2ccccc2c1
|
Absolute molar magnetic susceptibility
| 91.9 |
[10^-6 cm3/mol]
|
Wikipedia/Wikidata
|
Naphthalene
|
c1ccc2ccccc2c1
|
Boiling temperature
| 217.97 |
[oC]
|
Wikipedia/Wikidata
|
Aluminium oxide
|
[Al+3].[Al+3].[O-2].[O-2].[O-2]
|
Refractive index
| 1.76 |
[-]
|
Wikipedia/Wikidata
|
Aluminium oxide
|
[Al+3].[Al+3].[O-2].[O-2].[O-2]
|
Melting temperature
| 2,072 |
[oC]
|
Wikipedia/Wikidata
|
Aluminium oxide
|
[Al+3].[Al+3].[O-2].[O-2].[O-2]
|
Absolute molar magnetic susceptibility
| 37 |
[10^-6 cm3/mol]
|
Wikipedia/Wikidata
|
Aluminium oxide
|
[Al+3].[Al+3].[O-2].[O-2].[O-2]
|
Density
| 3.987 |
[g/cm3]
|
Wikipedia/Wikidata
|
Aluminium oxide
|
[Al+3].[Al+3].[O-2].[O-2].[O-2]
|
Boiling temperature
| 2,977 |
[oC]
|
Wikipedia/Wikidata
|
Ethylene glycol
|
C(CO)O
|
Melting temperature
| -12.9 |
[oC]
|
Wikipedia/Wikidata
|
Ethylene glycol
|
C(CO)O
|
Density
| 1.1132 |
[g/cm3]
|
Wikipedia/Wikidata
|
Ethylene glycol
|
C(CO)O
|
Boiling temperature
| 197.3 |
[oC]
|
Wikipedia/Wikidata
|
Alpha-Linolenic acid
|
O=C(O)CCCCCCC\C=C/C\C=C/C\C=C/CC
|
Density
| 0.9164 |
[g/cm3]
|
Wikipedia/Wikidata
|
Zirconium dioxide
| null |
Refractive index
| 2.13 |
[-]
|
Wikipedia/Wikidata
|
Zirconium dioxide
| null |
Melting temperature
| 2,715 |
[oC]
|
Wikipedia/Wikidata
|
Zirconium dioxide
| null |
Density
| 5.68 |
[g/cm3]
|
Wikipedia/Wikidata
|
Zirconium dioxide
| null |
Absolute standard enthalpy of formation
| 1,080 |
[kJ/mol]
|
Wikipedia/Wikidata
|
Zirconium dioxide
| null |
Boiling temperature
| 4,300 |
[oC]
|
Wikipedia/Wikidata
|
Sodium bicarbonate
|
[Na+].OC([O-])=O
|
Refractive index
| 1.583 |
[-]
|
Wikipedia/Wikidata
|
Sodium bicarbonate
|
[Na+].OC([O-])=O
|
Partition coefficient
| -0.82 |
[-]
|
Wikipedia/Wikidata
|
Sodium carbonate
|
[Na+].[Na+].[O-]C([O-])=O
|
Melting temperature
| 851 |
[oC]
|
Wikipedia/Wikidata
|
Butanone
|
O=C(C)CC
|
Viscosity
| 0.43 |
[mPas]
|
Wikipedia/Wikidata
|
Butanone
|
O=C(C)CC
|
Refractive index
| 1.3788 |
[-]
|
Wikipedia/Wikidata
|
Butanone
|
O=C(C)CC
|
Melting temperature
| -86 |
[oC]
|
Wikipedia/Wikidata
|
Butanone
|
O=C(C)CC
|
Absolute molar magnetic susceptibility
| 45.58 |
[10^-6 cm3/mol]
|
Wikipedia/Wikidata
|
Butanone
|
O=C(C)CC
|
Dipole Moment
| 2.76 |
[debye]
|
Wikipedia/Wikidata
|
Butanone
|
O=C(C)CC
|
Density
| 0.805 |
[g/cm3]
|
Wikipedia/Wikidata
|
Butanone
|
O=C(C)CC
|
Boiling temperature
| 79.64 |
[oC]
|
Wikipedia/Wikidata
|
Magnesium oxide
| null |
Refractive index
| 1.7355 |
[-]
|
Wikipedia/Wikidata
|
Magnesium oxide
| null |
Melting temperature
| 2,852 |
[oC]
|
Wikipedia/Wikidata
|
Magnesium oxide
| null |
Heat Capacity
| 5.15 |
[J/g/K]
|
Wikipedia/Wikidata
|
Magnesium oxide
| null |
Absolute standard enthalpy of formation
| 5.2 |
[kJ/mol]
|
Wikipedia/Wikidata
|
Magnesium oxide
| null |
Boiling temperature
| 3,600 |
[oC]
|
Wikipedia/Wikidata
|
Cantharidin
|
O=C2OC([C@@]1(C)[C@@H]3CC[C@@H](O3)[C@]12C)=O
|
Melting temperature
| 212 |
[oC]
|
Wikipedia/Wikidata
|
Cantharidin
|
O=C2OC([C@@]1(C)[C@@H]3CC[C@@H](O3)[C@]12C)=O
|
Density
| 1.41 |
[g/cm3]
|
Wikipedia/Wikidata
|
Polystyrene
| null |
Melting temperature
| 240 |
[oC]
|
Wikipedia/Wikidata
|
Polystyrene
| null |
Density
| 0.96 |
[g/cm3]
|
Wikipedia/Wikidata
|
Styrene
|
c1ccccc1C=C
|
Viscosity
| 0.762 |
[mPas]
|
Wikipedia/Wikidata
|
Styrene
|
c1ccccc1C=C
|
Refractive index
| 1.5469 |
[-]
|
Wikipedia/Wikidata
|
Styrene
|
c1ccccc1C=C
|
Melting temperature
| -30 |
[oC]
|
Wikipedia/Wikidata
|
Styrene
|
c1ccccc1C=C
|
Absolute molar magnetic susceptibility
| 68.2 |
[10^-6 cm3/mol]
|
Wikipedia/Wikidata
|
Styrene
|
c1ccccc1C=C
|
Dipole Moment
| 0.13 |
[debye]
|
Wikipedia/Wikidata
|
Styrene
|
c1ccccc1C=C
|
Density
| 0.909 |
[g/cm3]
|
Wikipedia/Wikidata
|
Styrene
|
c1ccccc1C=C
|
Boiling temperature
| 145 |
[oC]
|
Wikipedia/Wikidata
|
Thujone
|
O=C1[C@H](C)[C@@H]2[C@](C(C)C)(C1)C2
|
Density
| 0.92 |
[g/cm3]
|
Wikipedia/Wikidata
|
Thujone
|
O=C1[C@H](C)[C@@H]2[C@](C(C)C)(C1)C2
|
Boiling temperature
| 201 |
[oC]
|
Wikipedia/Wikidata
|
Strychnine
|
O=C7N2c1ccccc1[C@@]64[C@@H]2[C@@H]3[C@@H](OC/C=C5\[C@@H]3C[C@@H]6N(CC4)C5)C7
|
Melting temperature
| 270 |
[oC]
|
Wikipedia/Wikidata
|
Strychnine
|
O=C7N2c1ccccc1[C@@]64[C@@H]2[C@@H]3[C@@H](OC/C=C5\[C@@H]3C[C@@H]6N(CC4)C5)C7
|
Density
| 1.36 |
[g/cm3]
|
Wikipedia/Wikidata
|
Strychnine
|
O=C7N2c1ccccc1[C@@]64[C@@H]2[C@@H]3[C@@H](OC/C=C5\[C@@H]3C[C@@H]6N(CC4)C5)C7
|
Boiling temperature
| 285 |
[oC]
|
Wikipedia/Wikidata
|
Pyrrole
|
N1C=CC=C1
|
Viscosity
| 1.225 |
[mPas]
|
Wikipedia/Wikidata
|
Pyrrole
|
N1C=CC=C1
|
Vapor pressure
| 0.933 |
[kPa]
|
Wikipedia/Wikidata
|
Pyrrole
|
N1C=CC=C1
|
Melting temperature
| -23 |
[oC]
|
Wikipedia/Wikidata
|
Pyrrole
|
N1C=CC=C1
|
Absolute molar magnetic susceptibility
| 47.6 |
[10^-6 cm3/mol]
|
Wikipedia/Wikidata
|
Pyrrole
|
N1C=CC=C1
|
Molar Heat Capacity
| 1.903 |
[J/mol/K]
|
Wikipedia/Wikidata
|
Pyrrole
|
N1C=CC=C1
|
Density
| 0.967 |
[g/cm3]
|
Wikipedia/Wikidata
|
Pyrrole
|
N1C=CC=C1
|
Absolute standard enthalpy of formation
| 108.2 |
[kJ/mol]
|
Wikipedia/Wikidata
|
Pyrrole
|
N1C=CC=C1
|
Boiling temperature
| 129 |
[oC]
|
Wikipedia/Wikidata
|
Dinitrogen tetroxide
|
[O-][N+](=O)[N+]([O-])=O
|
Refractive index
| 1.00112 |
[-]
|
Wikipedia/Wikidata
|
Dinitrogen tetroxide
|
[O-][N+](=O)[N+]([O-])=O
|
Melting temperature
| -11.2 |
[oC]
|
Wikipedia/Wikidata
|
Dinitrogen tetroxide
|
[O-][N+](=O)[N+]([O-])=O
|
Absolute molar magnetic susceptibility
| 23 |
[10^-6 cm3/mol]
|
Wikipedia/Wikidata
|
Dinitrogen tetroxide
|
[O-][N+](=O)[N+]([O-])=O
|
Density
| 1.44246 |
[g/cm3]
|
Wikipedia/Wikidata
|
Dinitrogen tetroxide
|
[O-][N+](=O)[N+]([O-])=O
|
Boiling temperature
| 21.69 |
[oC]
|
Wikipedia/Wikidata
|
Silane
|
[SiH4]
|
Melting temperature
| -185 |
[oC]
|
Wikipedia/Wikidata
|
Silane
|
[SiH4]
|
Density
| 1.342 |
[g/cm3]
|
Wikipedia/Wikidata
|
Silane
|
[SiH4]
|
Boiling temperature
| -112 |
[oC]
|
Wikipedia/Wikidata
|
Glutaraldehyde
|
O=CCCCC=O
|
Melting temperature
| -14 |
[oC]
|
Wikipedia/Wikidata
|
Glutaraldehyde
|
O=CCCCC=O
|
Density
| 1.06 |
[g/cm3]
|
Wikipedia/Wikidata
|
Glutaraldehyde
|
O=CCCCC=O
|
Boiling temperature
| 187 |
[oC]
|
Wikipedia/Wikidata
|
Magnesium hydroxide
|
[Mg+2].[OH-].[OH-]
|
Refractive index
| 1.559 |
[-]
|
Wikipedia/Wikidata
|
Magnesium hydroxide
|
[Mg+2].[OH-].[OH-]
|
Melting temperature
| 350 |
[oC]
|
Wikipedia/Wikidata
|
Magnesium hydroxide
|
[Mg+2].[OH-].[OH-]
|
Absolute molar magnetic susceptibility
| 22.1 |
[10^-6 cm3/mol]
|
Wikipedia/Wikidata
|
Magnesium hydroxide
|
[Mg+2].[OH-].[OH-]
|
Density
| 2.3446 |
[g/cm3]
|
Wikipedia/Wikidata
|
Lead styphnate
|
c1c(c(c(c(c1[N+](=O)[O-])[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].[Pb+2]
|
Density
| 3.06 |
[g/cm3]
|
Wikipedia/Wikidata
|
VX (nerve agent)
|
CCOP(C)(=O)SCCN(C(C)C)C(C)C
|
Vapor pressure
| 0.00009 |
[kPa]
|
Wikipedia/Wikidata
|
VX (nerve agent)
|
CCOP(C)(=O)SCCN(C(C)C)C(C)C
|
Melting temperature
| -51 |
[oC]
|
Wikipedia/Wikidata
|
VX (nerve agent)
|
CCOP(C)(=O)SCCN(C(C)C)C(C)C
|
Partition coefficient
| 2.047 |
[-]
|
Wikipedia/Wikidata
|
VX (nerve agent)
|
CCOP(C)(=O)SCCN(C(C)C)C(C)C
|
Density
| 1.0083 |
[g/cm3]
|
Wikipedia/Wikidata
|
VX (nerve agent)
|
CCOP(C)(=O)SCCN(C(C)C)C(C)C
|
Boiling temperature
| 300 |
[oC]
|
Wikipedia/Wikidata
|
Diacetylene
|
C#CC#C
|
Boiling temperature
| 10 |
[oC]
|
Wikipedia/Wikidata
|
Red fuming nitric acid
| null |
Boiling temperature
| 120.5 |
[oC]
|
Wikipedia/Wikidata
|
Mannose
| null |
Absolute molar magnetic susceptibility
| 102.9 |
[10^-6 cm3/mol]
|
Wikipedia/Wikidata
|
Iron(III) oxide
|
O1[Fe]2O[Fe]1O2
|
Absolute molar magnetic susceptibility
| 3,586 |
[10^-6 cm3/mol]
|
Wikipedia/Wikidata
|
Quinoline Yellow WS
|
[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(nc12)C4C(=O)c3ccccc3C4=O)S([O-])(=O)=O
|
Melting temperature
| 150 |
[oC]
|
Wikipedia/Wikidata
|
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