Basic information
- CAS
6337-35-5- Standard SMILES
N#CC1(c2ccccc2)C=CC(C(=O)c2ccccc2)O1- InChIKey
ZIRIECLYIZAGCL-UHFFFAOYSA-N- Molecular formula
- C18H13NO2
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.09462866
Names & identifiers
- Preferred name
- 2-benzoyl-5-phenyl-2H-furan-5-carbonitrile
- IUPAC
- 2-benzoyl-5-phenyl-2H-furan-5-carbonitrile
Names & synonyms
6337-35-52-benzoyl-5-phenyl-2H-furan-5-carbonitrileNSC38019NSC-38019
Database identifiers
- CAS
6337-35-5- PubChem CID
- 236012
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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