Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis-
(11R,12S)-4,5,11,12-tetrahydrobenzo[a]pyrene-11,12-diol
Also Known As: Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis-|(11R,12S)-4,5,11,12-Tetrahydrobenzo(b)pyrene-11,12-diol|(11r,12s)-4,5,11,12-tetrahydrobenzo[pqr]tetraphene-11,12-diol|(11R,12S)-4,5,11,12-tetrahydrobenzo[a]pyrene-11,12-diol
CAS: 94850-13-2
| Molecular Formula | C20H16O2 |
|---|---|
| Molecular Weight | 288.11502 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.11502 |
| Monoisotopic Mass | 288.11502 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 94850-13-2 |
|---|---|
| SMILES | C1CC2=CC3=CC=CC=C3C4=C2C5=C1C=CC=C5[C@@H]([C@@H]4O)O |
| InChIKey | HMIVCMHHTXPQNY-VQTJNVASSA-N |
Product Overview
Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis- (CAS 94850-13-2), with molecular formula C20H16O2 and molecular weight 288.11502 g/mol. IUPAC: (11R,12S)-4,5,11,12-tetrahydrobenzo[a]pyrene-11,12-diol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis- is a custom synthesis product. We offer services from milligram to kilogram scale.
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