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Basic information
- Standard SMILES
CCOC(=O)C(C(C)=O)C(=O)C=Cc1ccccc1- InChIKey
OABDLSWGEMVREJ-UHFFFAOYSA-N- Molecular formula
- C15H16O4
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10485899
Names & identifiers
- Preferred name
- 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester
- IUPAC
- ethyl 2-acetyl-3-oxo-5-phenylpent-4-enoate
Names & synonyms
DS-0054874-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester
Database identifiers
- PubChem CID
- 300028
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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