2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester
Basic information
- CAS
26725-96-2- Standard SMILES
N#CC(=Cc1ccccc1)C(=O)OCc1ccccc1- InChIKey
OUSQHUXIGMSJNV-UHFFFAOYSA-N- Molecular formula
- C17H13NO2
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.09462866
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester
- IUPAC
- benzyl 2-cyano-3-phenylprop-2-enoate
Names & synonyms
2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl esterDTXSID5040269126725-96-2RefChem:266297DTXCID80353546benzyl 2-cyano-3-phenylprop-2-enoatebenzyl benzylidene-cyanoacetateSCHEMBL7105891
Database identifiers
- CAS
26725-96-2- PubChem CID
- 4384352
- DTXSID
DTXSID50402691
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 392
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…