Basic information
- CAS
55197-33-6- Standard SMILES
CCOC(=O)C=Cc1cccc(C#N)c1- InChIKey
KCHOZJMCISWKHW-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- Ethyl 3-(3-cyanophenyl)prop-2-enoate
- IUPAC
- ethyl 3-(3-cyanophenyl)prop-2-enoate
Names & synonyms
ethyl 3-(3-cyanophenyl)prop-2-enoate55197-33-6Ethyl 3-(3-cyanophenyl)-2-propenoateSCHEMBL6163160DTXSID601292010
Database identifiers
- CAS
55197-33-6- PubChem CID
- 367205
- DTXSID
DTXSID601292010
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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