3-Hydroxy Benzopyrene - CAS 13345-21-6

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Catalog Number: R047638

CAS Number: 13345-21-6

PubChem Substance ID:355110702

Molecular Formula: C20H12O

Molecular Weight:268.315

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

SynonymsBenzo[a]pyren-3-ol; 3-Hydroxy-3,4-benzo[a]pyrene; 3-Hydroxybenzo[a]pyrene;

Property

Molecular Formula: C20H12O
Molecular Weight268.315
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Namebenzo[a]pyren-3-ol
InChIInChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H
InChIKeySPUUWWRWIAEPDB-UHFFFAOYSA-N
SMILESC1=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)O