Basic information
- CAS
73981-17-6- Standard SMILES
CCOC(=O)C(C#N)(Cc1ccccc1)OC(=O)c1ccccc1- InChIKey
NVUMLYXXSZXEJX-UHFFFAOYSA-N- Molecular formula
- C19H17NO4
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.11575802
Names & identifiers
- Preferred name
- 2-Cyano-1-ethoxy-1-oxo-3-phenylpropan-2-yl benzoate
- IUPAC
- (2-cyano-1-ethoxy-1-oxo-3-phenylpropan-2-yl) benzoate
Names & synonyms
73981-17-62-cyano-1-ethoxy-1-oxo-3-phenylpropan-2-yl benzoateNSC48025DTXSID30286850NSC-48025
Database identifiers
- CAS
73981-17-6- PubChem CID
- 240992
- DTXSID
DTXSID30286850
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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