Basic information
- Standard SMILES
CCOC(=O)C[C@H](C)OCc1ccccc1- InChIKey
WTTFJVXRZAOWQO-NSHDSACASA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
Names & identifiers
- Preferred name
- (3S)-3-(benzyloxy)butanoic acid ethyl ester
- IUPAC
- ethyl (3S)-3-phenylmethoxybutanoate
Names & synonyms
SCHEMBL2314353WTTFJVXRZAOWQO-NSHDSACASA-N(s)-3-(benzyloxy)butyric acid ethyl ester(3S)-3-(benzyloxy)butanoic acid ethyl ester
Database identifiers
- PubChem CID
- 14201835
- Nikkaji
- J1.963.486H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Related reactions
1 records
Compound notes
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