Basic information
- Standard SMILES
CCOC(=O)C(=O)CC(C)c1ccccc1- InChIKey
OZGYGVZLQYNNNN-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
Names & identifiers
- Preferred name
- 2-Oxo-4-phenylvaleric acid ethyl ester
- IUPAC
- ethyl 2-oxo-4-phenylpentanoate
Names & synonyms
SCHEMBL6584154OZGYGVZLQYNNNN-UHFFFAOYSA-N2-oxo-4-phenylvaleric acid ethyl ester
Database identifiers
- PubChem CID
- 17935637
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Related reactions
6 records
Compound notes
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