Basic information
- CAS
71516-80-8- Standard SMILES
O=C1OC(=O)C2C1C1C=CC2C1(c1ccccc1)c1ccccc1- InChIKey
PVVNVOVWHMQXEI-UHFFFAOYSA-N- Molecular formula
- C21H16O3
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.10994437
Names & identifiers
- Preferred name
- 8,8-Diphenyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
- IUPAC
- 10,10-diphenyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
71516-80-88,8-diphenyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dioneNSC110662DTXSID10991995NSC120610NSC-110662NSC-120610
Database identifiers
- CAS
71516-80-8- PubChem CID
- 269495
- DTXSID
DTXSID10991995
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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