Basic information
- CAS
16354-93-1- Standard SMILES
OCC(O)C(O)c1ccccc1- InChIKey
CCFAGRVEHSCROQ-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 1-Phenylpropane-1,2,3-triol
- IUPAC
- 1-phenylpropane-1,2,3-triol
- English name
- 1-phenylglycerol
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
1-phenylpropane-1,2,3-triol63157-81-3[S(R*,R*)]-1-phenylglycerol16354-95-3(S(R*,R*))-1-Phenylglycerolphenylglycerin1-phenyl-propane-1,2,3-triolEINECS 240-414-0EINECS 263-975-3SCHEMBL117950CHEMBL1836134CCFAGRVEHSCROQ-UHFFFAOYSA-N
Show more names
1-phenylglycerol1-Phenyl-1,2,3-propanetriol1,2,3-Propanetriol, 1-phenyl-
16354-93-1(1S,2R)-1-phenylpropane-1,2,3-triolNS00120630
Database identifiers
- CAS
16354-93-1、16354-95-3、63157-81-3- PubChem CID
- 27832
- DTXSID
DTXSID20936837- ChEMBL
CHEMBL1836134- EC Number
- 240-413-5、240-414-0
- Nikkaji
- J327.007F
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 100.5 °C · 100.5°C
- Boiling point
- 185 °C · 185°C (estimate)
- Density
- 1.2213 · 1.2213
- refractive index
- 1.5606 · 1.5606 (estimate)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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