7-Hydroxy-7,8-dihydrobenzo(a)pyrene, (+-)-

HCID 56744

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Basic information

CAS: 94339-55-6
Standard SMILES: OC1CC=Cc2c1cc1ccc3cccc4ccc2c1c34
InChIKey: CKLFVNJOVKIITI-UHFFFAOYSA-N
Molecular formula: C20H14O
Average molar mass: 270.3 g/mol
Monoisotopic mass: 270.10446507

Names & identifiers

Preferred name: 7-Hydroxy-7,8-dihydrobenzo(a)pyrene, (+-)-
IUPAC: 7,8-dihydrobenzo[a]pyren-7-ol

Names & synonyms

CCRIS 20487-Hydroxy-7,8-dihydrobenzo(a)pyreneBENZO(a)PYREN-7-OL, 7,8-DIHYDRO-UNII-8TYR1800QP8TYR1800QP94339-55-67-HYDROXY-7,8-DIHYDROBENZO(A)PYRENE, (RS)-7-HYDROXY-7,8-DIHYDROBENZO[A]PYRENERefChem:1991747-Hydroxy-7,8-dihydrobenzo(a)pyrene, (+-)-7-Hydroxy-7,8-dihydrobenzo(a)pyrene, (+/-)-DTXSID00915640

Show more names

7,8-Dihydrobenzo[pqr]tetraphen-7-ol(+/-)-7-hydroxy-7,8-dihydrobenzo(a)pyrene(+/-)-7,8-hydroxy-7,8-dihydrobenzo[a]pyreneQ27271004

Database identifiers

CAS: 94339-55-6
PubChem CID: 56744
DTXSID: DTXSID00915640
UNII: 8TYR1800QP

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 441

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