Basic information
- Standard SMILES
CCOC(=O)C(C#N)=Cc1ccc(N)cc1- InChIKey
KYSGEFODWJBPDP-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(4-aminophenyl)-2-cyanoacrylate
- IUPAC
- ethyl 3-(4-aminophenyl)-2-cyanoprop-2-enoate
Names & synonyms
SCHEMBL4141290KYSGEFODWJBPDP-UHFFFAOYSA-NAKOS030748576ethyl 3-(4-aminophenyl)-2-cyanoacrylate
Database identifiers
- PubChem CID
- 3540149
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Related reactions
4 records
Compound notes
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