4-(2,2-Dicyanoethenyl)phenyl 2-propenoate
Basic information
- CAS
72892-20-7- Standard SMILES
C=CC(=O)Oc1ccc(C=C(C#N)C#N)cc1- InChIKey
DLRVSAPHSNLIBH-UHFFFAOYSA-N- Molecular formula
- C13H8N2O2
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.0585775
Names & identifiers
- Preferred name
- 4-(2,2-Dicyanoethenyl)phenyl 2-propenoate
- IUPAC
- [4-(2,2-dicyanoethenyl)phenyl] prop-2-enoate
Names & synonyms
4-(2,2-Dicyanoethenyl)phenyl 2-propenoateSCHEMBL13766383DTXSID80127122872892-20-74-(2,2-Dicyanoethenyl)phenyl prop-2-enoate
Database identifiers
- CAS
72892-20-7- PubChem CID
- 57764914
- DTXSID
DTXSID801271228- Nikkaji
- J799.640C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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