Basic information
- Standard SMILES
CCOC(=O)CC(=O)/C=C/c1ccccc1- InChIKey
KNUYHVRRBLEIHT-CMDGGOBGSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- Ethyl-3-oxo-5-phenylpent-4-enoate
- IUPAC
- ethyl (E)-3-oxo-5-phenylpent-4-enoate
Names & synonyms
58369-48-5Ethyl-3-oxo-5-phenylpent-4-enoate(4E)-3-Oxo-5-phenyl-4-pentenoic acid ethyl esterethyl (E)-3-oxo-5-phenylpent-4-enoate(E)-Ethyl 3-oxo-5-phenylpent-4-enoate1503-99-7MFCD000875794-Pentenoic acid, 3-oxo-5-phenyl-, ethyl esterEthyl (E)-3-oxo-5-phenyl-pent-4-enoateSCHEMBL3105202KNUYHVRRBLEIHT-CMDGGOBGSA-N(E)-Ethyl3-oxo-5-phenylpent-4-enoate
Show more names
(E)-ethyl-5-phenyl-3-oxopent-4-enoateethyl (4E)-3-oxo-5-phenyl-4-pentenoateF79422
Database identifiers
- PubChem CID
- 11053129
- Nikkaji
- J1.014.146J、J492.381B
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 262
Related reactions
2 records
Compound notes
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