4-Methoxybenzo(a)pyrene
Basic information
- CAS
56182-99-1- Standard SMILES
COc1cc2cc3ccccc3c3ccc4cccc1c4c23- InChIKey
CNVYLULNAHQNNC-UHFFFAOYSA-N- Molecular formula
- C21H14O
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.10446507
Names & identifiers
- Preferred name
- 4-Methoxybenzo(a)pyrene
- IUPAC
- 4-methoxybenzo[a]pyrene
- English name
- 4-Methoxybenzo(a)pyrene
- Molecular formula
- C21H14O
- Molecular weight
- 282.34
Names & synonyms
Benzo(a)pyrene, 4-methoxy-56182-99-14-Methoxybenzo(a)pyrene4-methoxybenzo[pqr]tetrapheneDTXSID80204726Benzo[a]pyrene, 4-methoxy- (9CI)
Database identifiers
- CAS
56182-99-1- PubChem CID
- 92049
- DTXSID
DTXSID80204726
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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