Ethyl 4-oxo-2-phenylpentanoate
Basic information
- CAS
6303-83-9- Standard SMILES
CCOC(=O)C(CC(C)=O)c1ccccc1- InChIKey
MPTUXQOIIUTVGD-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Overview
Ethyl 4-oxo-2-phenylpentanoate is an oxo carboxylic acid.
Names & identifiers
- Preferred name
- Ethyl 4-oxo-2-phenylpentanoate
- IUPAC
- ethyl 4-oxo-2-phenylpentanoate
Names & synonyms
ethyl 4-oxo-2-phenylpentanoate6303-83-9DTXSID60285816RefChem:344074DTXCID40236967NSC42891SCHEMBL28763045CHEBI:229426NSC-42891
Database identifiers
- CAS
6303-83-9- PubChem CID
- 238514
- DTXSID
DTXSID60285816- ChEBI
CHEBI:229426- Nikkaji
- J46.671I
Properties
Computed structural properties
- XLogP
- 1.8
- 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
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Related reactions
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Compound notes
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