1-Ethoxy-1-oxopropan-2-yl benzoate
Basic information
- CAS
52298-33-6- Standard SMILES
CCOC(=O)C(C)OC(=O)c1ccccc1- InChIKey
LPPNDZSYOHMWQY-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- 1-Ethoxy-1-oxopropan-2-yl benzoate
- IUPAC
- (1-ethoxy-1-oxopropan-2-yl) benzoate
Names & synonyms
52298-33-6NSC 167527ethyl 2-(benzoyloxy)propanoate1-Ethoxy-1-oxopropan-2-yl benzoateNSC167527DTXSID60304839NSC-167527Propanoic acid, 2-(benzoyloxy)-, ethyl ester
Database identifiers
- CAS
52298-33-6- PubChem CID
- 296953
- DTXSID
DTXSID60304839- Nikkaji
- J2.193.620K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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