Benzoic acid, 4-(2,2-dicyanoethenyl)-
Basic information
- CAS
15725-53-8- Standard SMILES
N#CC(C#N)=Cc1ccc(C(=O)O)cc1- InChIKey
KWXWJXVSQZFADE-UHFFFAOYSA-N- Molecular formula
- C11H6N2O2
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.04292744
Names & identifiers
- Preferred name
- Benzoic acid, 4-(2,2-dicyanoethenyl)-
- IUPAC
- 4-(2,2-dicyanoethenyl)benzoic acid
Names & synonyms
Benzoic acid, 4-(2,2-dicyanoethenyl)-15725-53-8benzylidenemalononitrile (BMN) deriv. 124-(2,2-dicyanoeth-1-en-1-yl)benzoic acidOprea1_449829CHEMBL78174BDBM4328SCHEMBL4910895SCHEMBL4910902DTXSID50416172AKOS0029514044-(2,2-Dicyanoethen-1-yl)benzoic acid
Database identifiers
- CAS
15725-53-8- PubChem CID
- 5328784
- DTXSID
DTXSID50416172- ChEMBL
CHEMBL78174- Nikkaji
- J650.166D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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