Ethyl 2-cyano-2-phenylpropanoate
Basic information
- CAS
15601-34-0- Standard SMILES
CCOC(=O)C(C)(C#N)c1ccccc1- InChIKey
NMFVEAWKFOQTLE-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- Ethyl 2-cyano-2-phenylpropanoate
- IUPAC
- ethyl 2-cyano-2-phenylpropanoate
Names & synonyms
15601-34-0ethyl 2-cyano-2-phenylpropanoateNSC38813SCHEMBL10154498NSC-38813
Database identifiers
- CAS
15601-34-0- PubChem CID
- 236380
- Nikkaji
- J2.579.545H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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