Basic information
- Standard SMILES
CCOC(=O)C(C=O)Cc1ccccc1- InChIKey
QHBTZSFSMHRNCB-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-benzyl-3-oxopropanoate
- IUPAC
- ethyl 2-benzyl-3-oxopropanoate
Names & synonyms
2-Formyl-3-phenyl-propionic acid ethyl esterEthyl 2-benzyl-3-oxopropanoateSCHEMBL3182607ethyl 2-formyl-3-phenylpropionateEthyl 2-benzyl-3-oxopropanoate #Ethyl 2-formyl-3-phenylpropanoateMFCD18916923ethyl alpha-formyl-beta-phenylpropionate2016-00-4SY3794122-Benzyl-3-oxopropanoic acid, ethyl ester
Database identifiers
- PubChem CID
- 562571
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Related reactions
7 records
Compound notes
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