Basic information
- CAS
53939-81-4- Standard SMILES
CC(=O)CCC(=O)OCCc1ccccc1- InChIKey
FJEDCBJSNFURKI-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Phenethyl 4-oxovalerate
- IUPAC
- 2-phenylethyl 4-oxopentanoate
- English name
- phenethyl 4-oxovalerate
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
Phenethyl 4-oxovalerate2-phenylethyl 4-oxopentanoate53939-81-4EINECS 258-877-22-phenylethyl levulinateZNF7F9XB7BSCHEMBL7996452DTXSID20202226DB-231654NS00032883Pentanoic acid, 4-oxo-, 2-phenylethyl ester4-Oxopentanoic acid 2-phenylethyl ester
Database identifiers
- CAS
53939-81-4- PubChem CID
- 104653
- DTXSID
DTXSID20202226- UNII
- ZNF7F9XB7B
- EC Number
- 258-877-2
- Nikkaji
- J279.542F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- LogP
- 1.951 · 1.951 (est)
Chemistry & industry
Suppliers5 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
吉良化学21-62165282 · [email protected]
天津丹骏国际贸易有限公司15822601686 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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