Basic information
- CAS
6942-67-2- Standard SMILES
O=C1OC(=O)C2C1C1(c3ccccc3)C=CC2(c2ccccc2)C1- InChIKey
ZIRTUTAGQSEEAH-UHFFFAOYSA-N- Molecular formula
- C21H16O3
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.10994437
Names & identifiers
- Preferred name
- 4,7-Diphenyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
- IUPAC
- 1,7-diphenyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
4,7-diphenyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione6942-67-2NSC57283NCIOpen2_007629DTXSID40288668ZIRTUTAGQSEEAH-UHFFFAOYSA-NDTXSID001003051NSC-5728382999-00-64,7-Diphenyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dionato
Database identifiers
- CAS
6942-67-2、82999-00-6- PubChem CID
- 245341
- DTXSID
DTXSID001003051
Properties
Computed structural properties
- XLogP
- 4
- 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
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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