Basic information
- Standard SMILES
CCOC(=O)C(C#N)=C(C)c1cccc(OC)c1- InChIKey
VLHXHTOUMNNCSC-UHFFFAOYSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-[3-(methyloxy)phenyl]-2-butenoate
- IUPAC
- ethyl 2-cyano-3-(3-methoxyphenyl)but-2-enoate
Names & synonyms
Ethyl 2-cyano-3-[3-(methyloxy)phenyl]-2-butenoateSCHEMBL1554618VLHXHTOUMNNCSC-UHFFFAOYSA-N2-Cyano-3-[3-methoxyphenyl]-but-2-enoic acid ethyl ester
Database identifiers
- PubChem CID
- 4115002
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Related reactions
4 records
Compound notes
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