Basic information
- CAS
6623-45-6- Standard SMILES
CCOC(=O)C(CC)(C(C)=O)c1ccccc1- InChIKey
IVGNRLISYBICSC-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.12559443
Names & identifiers
- Preferred name
- Ethyl 2-ethyl-3-oxo-2-phenylbutanoate
- IUPAC
- ethyl 2-ethyl-3-oxo-2-phenylbutanoate
Names & synonyms
6623-45-6ethyl 2-ethyl-3-oxo-2-phenylbutanoateNSC54977DTXSID00288245NSC-54977ethyl 2-ethyl-3-oxo-2-phenyl-butanoateDS-010998
Database identifiers
- CAS
6623-45-6- PubChem CID
- 244261
- DTXSID
DTXSID00288245
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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