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Basic information
- Standard SMILES
O=C1C=CC(=O)c2ccc(=O)ccc21- InChIKey
HGNHRPJEEMWOBO-UHFFFAOYSA-N- Molecular formula
- C11H6O3
- Average molar mass
- 186.16 g/mol
- Monoisotopic mass
- 186.03169405
Names & identifiers
- Preferred name
- 1H-Benzocycloheptene-1,7-trione, 4,7-dihydro-
- IUPAC
- benzo[7]annulene-1,4,7-trione
Names & synonyms
NSC620056CHEMBL1971808NSC-620056NCI60_0059341H-Benzocycloheptene-1,7-trione, 4,7-dihydro-
Database identifiers
- PubChem CID
- 359306
- ChEMBL
CHEMBL1971808
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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