Basic information
- CAS
61475-32-9- Standard SMILES
OC[C@@H](O)Cc1ccccc1- InChIKey
JHWQMXKQJVAWKI-VIFPVBQESA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- (2S)-3-Phenylpropane-1,2-diol
- IUPAC
- (2S)-3-phenylpropane-1,2-diol
- English name
- 1,2-Propanediol, 3-phenyl-, (2S)-
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
(2S)-3-phenylpropane-1,2-diol3-Phenyl-1,2-Propandiol61475-32-9(2S)-3-Phenyl-1,2-propanediol6PQ7U3G5W6(-)-3-Phenylpropane-1,2-diol(2S)-2-Hydroxy-3-phenyl-1-propanol1,2-Propanediol, 3-phenyl-, (2S)DTXSID00332212RefChem:398603DTXCID502833061,2-Propanediol, 3-phenyl-, (2S)-
Show more names
(S)-(-)-3-phenyl-1,2-propanediol
(S)-3-phenylpropane-1,2-diolUNII-6PQ7U3G5W6SCHEMBL1068785SCHEMBL2211027JHWQMXKQJVAWKI-VIFPVBQESA-N(S)-1,2-dihydroxy-3-phenyl-propaneDB02803PD007627
Database identifiers
- CAS
61475-32-9- PubChem CID
- 446127
- DTXSID
DTXSID00332212- UNII
- 6PQ7U3G5W6
- Nikkaji
- J434.950D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.7
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 49 · 49-51 °C
- Boiling point
- 316.6 · 316.6±22.0 °C(Predicted)
- Density
- 1.134 · 1.134±0.06 g/cm3(Predicted)
- pka
- 14.43 · 14.43±0.20(Predicted)
- FDA UNII
- 6 PQ7U3G5W6 · 6PQ7U3G5W6
Chemistry & industry
Suppliers1 total
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
Related reactions
2 records
Compound notes
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