Basic information
- CAS
340318-81-2- Standard SMILES
Cc1cccc(NC(=O)C(C#N)=Cc2ccc(C(=O)O)cc2)c1- InChIKey
MQUZEFHEOKHZSR-UHFFFAOYSA-N- Molecular formula
- C18H14N2O3
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.10044231
Names & identifiers
- Preferred name
- 4-[2-Cyano-3-(3-methylanilino)-3-oxoprop-1-en-1-yl]benzoic acid
- IUPAC
- 4-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]benzoic acid
Names & synonyms
DTXSID901156344340318-81-24-[2-Cyano-3-(3-methylanilino)-3-oxoprop-1-en-1-yl]benzoic acid4-[(1Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-en-1-yl]benzoic acid
Database identifiers
- CAS
340318-81-2- PubChem CID
- 877109
- DTXSID
DTXSID901156344
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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