Basic information
- Standard SMILES
CCOC(=O)C(C#N)=C(C)c1cccc(C)c1- InChIKey
ALPTZAPCAFYXKJ-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
Names & identifiers
- Preferred name
- 2-Cyano-3-(3-methylphenyl)-but-2-enoic acid ethyl ester
- IUPAC
- ethyl 2-cyano-3-(3-methylphenyl)but-2-enoate
Names & synonyms
SCHEMBL1553318ALPTZAPCAFYXKJ-UHFFFAOYSA-N2-Cyano-3-(3-methylphenyl)-but-2-enoic acid ethyl ester
Database identifiers
- PubChem CID
- 297786
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 362
Related reactions
3 records
Compound notes
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