Benzonitrile, 4-[3-(3-methylphenyl)-1-oxo-2-propenyl]-
Basic information
- CAS
62490-50-0- Standard SMILES
Cc1cccc(C=CC(=O)c2ccc(C#N)cc2)c1- InChIKey
WNWNNFJAGPTXDS-UHFFFAOYSA-N- Molecular formula
- C17H13NO
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.09971404
Names & identifiers
- Preferred name
- Benzonitrile, 4-[3-(3-methylphenyl)-1-oxo-2-propenyl]-
- IUPAC
- 4-[3-(3-methylphenyl)prop-2-enoyl]benzonitrile
Names & synonyms
4-[3-(3-methylphenyl)prop-2-enoyl]benzonitrile62490-50-0Benzonitrile, 4-[3-(3-methylphenyl)-1-oxo-2-propenyl]-DTXSID30393634
Database identifiers
- CAS
62490-50-0- PubChem CID
- 3560488
- DTXSID
DTXSID30393634
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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