Basic information
- CAS
16757-84-9- Standard SMILES
Cc1ccc2c(C)cc3c4ccccc4cc4ccc1c2c43- InChIKey
AXNVFWFDUHHFDK-UHFFFAOYSA-N- Molecular formula
- C22H16
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.12520051
Names & identifiers
- Preferred name
- BENZO(a)PYRENE, 3,12-DIMETHYL-
- IUPAC
- 3,12-dimethylbenzo[a]pyrene
Names & synonyms
BENZO(a)PYRENE, 3,12-DIMETHYL-3,12-dimethylbenzo[a]pyrene3,12-Dimethylbenzo(a)pyrene16757-84-9BRN 2376011DTXSID801683143,12-Dimethylbenzo[pqr]tetraphene
Database identifiers
- CAS
16757-84-9- PubChem CID
- 28039
- DTXSID
DTXSID80168314- Nikkaji
- J36.060K
Properties
Computed structural properties
- XLogP
- 6.7
- 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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