Basic information
- CAS
1096-50-0- Standard SMILES
O=C(C1=C(C(=O)c2ccccc2)C2C=CC1C2)c1ccccc1- InChIKey
VDDCUTMLBCPIDY-UHFFFAOYSA-N- Molecular formula
- C21H16O2
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.11502975
Names & identifiers
- Preferred name
- (Bicyclo[2.2.1]hepta-2,5-diene-2,3-diyl)bis(phenylmethanone)
- IUPAC
- (3-benzoyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)-phenylmethanone
Names & synonyms
1096-50-0NSC159503DTXSID80329802(Bicyclo[2.2.1]hepta-2,5-diene-2,3-diyl)bis(phenylmethanone)NSC-159503
Database identifiers
- CAS
1096-50-0- PubChem CID
- 423957
- DTXSID
DTXSID80329802
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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