Basic information
- CAS
16757-90-7- Standard SMILES
Cc1ccc2ccc3c(C)c4ccccc4c4ccc1c2c34- InChIKey
RYEWXUCQWAMDLQ-UHFFFAOYSA-N- Molecular formula
- C22H16
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.12520051
Names & identifiers
- Preferred name
- Benzo(a)pyrene, 1,6-dimethyl-
- IUPAC
- 1,6-dimethylbenzo[a]pyrene
Names & synonyms
1,6-Dimethylbenzo(a)pyrene1,6-Dimethylbenz(a)pyreneBENZO(a)PYRENE, 1,6-DIMETHYL-BRN 22752361,6-dimethylbenzo[a]pyrene16757-90-7Benzo[a]pyrene, 1,6-dimethyl-DTXSID901683204-05-00-02703 (Beilstein Handbook Reference)RefChem:118168DTXCID20908111,6-dimethylbenzo[pqr]tetraphene
Database identifiers
- CAS
16757-90-7- PubChem CID
- 28045
- DTXSID
DTXSID90168320- Nikkaji
- J36.057K
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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