Basic information
- CAS
16757-83-8- Standard SMILES
Cc1cc2cc3ccccc3c3ccc4cccc1c4c23- InChIKey
VYWXLKZSEDZSCA-UHFFFAOYSA-N- Molecular formula
- C21H14
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.10955045
Names & identifiers
- Preferred name
- 4-Methylbenzo[a]pyrene
- IUPAC
- 4-methylbenzo[a]pyrene
- English name
- 4-Methylbenzo[a]pyrene
- Molecular formula
- C21H14
- Molecular weight
- 266.34
Names & synonyms
4-methylbenzo[a]pyrene16757-83-8Benzo(a)pyrene, 4-methyl-4-METHYLBENZO(A)PYRENECCRIS 2438BRN 32832864-Methylbenzo(a)pyren4-methyl-benzo[a]pyrene4-Methylbenzo[pqr]tetrapheneSCHEMBL598810DTXSID20168313AKOS015905880
Show more names
Benzo[a]pyrene, 4-methyl-
Database identifiers
- CAS
16757-83-8- PubChem CID
- 28038
- DTXSID
DTXSID20168313- Nikkaji
- J36.069D
Properties
Computed structural properties
- XLogP
- 6.4
- 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
- 217.75 °C · 217.75°C
- Boiling point
- 509.54 °C · 509.54°C (rough estimate)
- Density
- 1.134 · 1.1340 (estimate)
- refractive index
- 1.853 · 1.8530 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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