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Basic information
- Standard SMILES
C=CCCC(=O)CC(=O)OCc1ccccc1- InChIKey
PRKFQOVBXGIFTE-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- Benzyl 3-oxohept-6-enoate
- IUPAC
- benzyl 3-oxohept-6-enoate
Names & synonyms
NSC620047CHEMBL2001848NSC-620047NCI60_005925
Database identifiers
- PubChem CID
- 359299
- ChEMBL
CHEMBL2001848- Nikkaji
- J1.654.291A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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