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Basic information
- CAS
60657-26-3- Standard SMILES
O=c1c(=O)c2c3ccccc3cc3ccc4cccc1c4c32- InChIKey
QBKKGIBFTOBILK-UHFFFAOYSA-N- Molecular formula
- C20H10O2
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.06807956
Names & identifiers
- Preferred name
- Benzo(a)pyrene-11,12-dione
- IUPAC
- benzo[a]pyrene-11,12-dione
Names & synonyms
benzo[a]pyrene-11,12-dioneBENZO(a)PYRENE-11,12-DIONEBenzo(a)pyrene-11,12-quinone60657-26-3BRN 1983022DTXSID00209470RefChem:326099DTXCID20131961WX6BE7TN6Hbenzo[pqr]tetraphene-11,12-dione
Database identifiers
- CAS
60657-26-3- PubChem CID
- 43384
- DTXSID
DTXSID00209470- UNII
- WX6BE7TN6H
- Nikkaji
- J2.149.539E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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