1,2,6,7-Tetrahydrocyclohepta[fg]acenaphthylene-5,8-dione
Basic information
- CAS
6345-20-6- Standard SMILES
O=C1CCC(=O)c2ccc3c4c(ccc1c24)CC3- InChIKey
DFUIWOPEWSENML-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- 1,2,6,7-Tetrahydrocyclohepta[fg]acenaphthylene-5,8-dione
- IUPAC
- tetracyclo[7.5.2.04,16.012,15]hexadeca-1(15),2,4(16),9,11-pentaene-5,8-dione
Names & synonyms
1,2,6,7-tetrahydrocyclohepta[fg]acenaphthylene-5,8-dione6345-20-6MLS002608802SMR001527543NSC47098cid_240668CHEMBL1880953SCHEMBL21948632BDBM96137DTXSID80979664HMS3080P21NSC-47098
Show more names
tetracyclo[7.5.2.04,16.012,15]hexadeca-1(15),2,4(16),9,11-pentaene-5,8-dione
Database identifiers
- CAS
6345-20-6- PubChem CID
- 240668
- DTXSID
DTXSID80979664- ChEMBL
CHEMBL1880953- Nikkaji
- J1.801.891H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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