Basic information
- CAS
13345-26-1- Standard SMILES
Oc1ccc2c(c1)cc1ccc3cccc4ccc2c1c34- InChIKey
OWEZWMDNHHTXJU-UHFFFAOYSA-N- Molecular formula
- C20H12O
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.088815
Overview
8-Hydroxybenzo[a]pyrene is an ortho- and peri-fused polycyclic arene.
Names & identifiers
- Preferred name
- 8-Hydroxybenzo[a]pyrene
- IUPAC
- benzo[a]pyren-8-ol
- English name
- 8-Hydroxybenzo[a]pyrene
- Molecular formula
- C20H12O
- Molecular weight
- 268.31
Names & synonyms
benzo[a]pyren-8-ol13345-26-18-Hydroxybenzo[a]pyreneBenzo[pqr]tetraphen-8-olBenzo(a)pyren-8-olBENZO(a)PYRENE, 8-HYDROXY-8-Hydroxy-3,4-benzopyrene8-HYDROXYBENZO(A)PYRENE8-Hydroxy-benzo(a)pyreneBRN 23797588-Hydroxy benzo[a]pyreneBIDD:ER0355
Show more names
CHEMBL1908057SCHEMBL28382333CHEBI:34493DTXSID00158116AKOS015905883CS-0098958NS00124225Q27116106
Database identifiers
- CAS
13345-26-1- PubChem CID
- 25893
- DTXSID
DTXSID00158116- ChEMBL
CHEMBL1908057- ChEBI
CHEBI:34493- Nikkaji
- J961J
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Chemistry & industry
Applications
UsesBenzo[a]pyren-8-ol is a metabolite of Benzopyrene (B205800) with antiestrogenic activity. Benzo[a]pyren-8-ol is also a useful synthetic intermediate in the synthesis of Benzo[a]pyrene-7,8-diol (B205840).
Suppliers3 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Additional notes
DefinitionChEBI: 8-Hydroxybenzo[a]pyrene is an ortho- and peri-fused polycyclic arene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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