Basic information
- Standard SMILES
CC(=O)OCC[C@H](O)c1ccccc1- InChIKey
FFWXGONOKFRRKL-NSHDSACASA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
Names & identifiers
- Preferred name
- (S)-3-hydroxy-3-phenylpropyl acetate
- IUPAC
- [(3S)-3-hydroxy-3-phenylpropyl] acetate
Names & synonyms
SCHEMBL8743244FFWXGONOKFRRKL-NSHDSACASA-N(S)-3-hydroxy-3-phenylpropyl acetate
Database identifiers
- PubChem CID
- 11095503
- Nikkaji
- J2.975.072F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Related reactions
2 records
Compound notes
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