Basic information
- CAS
16757-80-5- Standard SMILES
Cc1cc2cccc3ccc4cc5ccccc5c1c4c32- InChIKey
ZWJRHJOLMBZEMI-UHFFFAOYSA-N- Molecular formula
- C21H14
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.10955045
Names & identifiers
- Preferred name
- Benzo(a)pyrene, 11-methyl-
- IUPAC
- 11-methylbenzo[a]pyrene
- English name
- 11-Methylbenzo[a]pyrene
- Molecular formula
- C21H14
- Molecular weight
- 266.34
Names & synonyms
11-methylbenzo[a]pyreneCCRIS 244411-Methylbenzo(a)pyrene6-Methyl-3,4-benzpyreneBENZO(a)PYRENE, 11-METHYL-BRN 2109259Benzo[a]pyrene, 11-methyl-DTXSID401683104-05-00-02695 (Beilstein Handbook Reference)RefChem:326087DTXCID809080116757-80-5
Show more names
Benzo[a]pyrene,11-methyl- (6CI,8CI,9CI)
9SQ9H7EB6J11-Methylbenzo[pqr]tetraphene
Database identifiers
- CAS
16757-80-5- PubChem CID
- 28035
- DTXSID
DTXSID40168310- UNII
- 9SQ9H7EB6J
- Nikkaji
- J36.071F
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 155.75 °C · 155.75°C
- Boiling point
- 509.54 °C · 509.54°C (rough estimate)
- Density
- 1.134 · 1.1340 (estimate)
- refractive index
- 1.853 · 1.8530 (estimate)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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