Basic information
- Standard SMILES
N#CCC(O)CC(=O)OCc1ccccc1- InChIKey
BAXPZZQTNLZYCM-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
Names & identifiers
- Preferred name
- Benzyl 4-cyano-3-hydroxybutanoate
- IUPAC
- benzyl 4-cyano-3-hydroxybutanoate
Names & synonyms
SCHEMBL6928323
Database identifiers
- PubChem CID
- 10130664
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Related reactions
1 records
Compound notes
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