Basic information
- CAS
106880-68-6- Standard SMILES
Cc1ccc2cc(C)c3c4ccccc4cc4ccc1c2c43- InChIKey
CHXZNQZXIYQBPZ-UHFFFAOYSA-N- Molecular formula
- C22H16
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.12520051
Names & identifiers
- Preferred name
- Benzo(a)pyrene, 3,11-dimethyl-
- IUPAC
- 3,11-dimethylbenzo[a]pyrene
Names & synonyms
Benzo(a)pyrene, 3,11-dimethyl-106880-68-63,11-Dimethylbenzo(a)pyreneDTXSID001478033,11-dimethylbenzo[pqr]tetraphene
Database identifiers
- CAS
106880-68-6- PubChem CID
- 184752
- DTXSID
DTXSID00147803- Nikkaji
- J825.436B
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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