Benzo(a)pyrene-7-methanol, 3-hydroxy-
7-(hydroxymethyl)benzo[a]pyren-3-ol
Also Known As: Benzo(a)pyrene-7-methanol, 3-hydroxy-|7-(hydroxymethyl)benzo[a]pyren-3-ol|7-(hydroxymethyl)benzo[pqr]tetraphen-3-ol
CAS: 79418-86-3
| Molecular Formula | C21H14O2 |
|---|---|
| Molecular Weight | 298.09937 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.09937 |
| Monoisotopic Mass | 298.09937 |
| Heavy Atoms | 23 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 79418-86-3 |
|---|---|
| SMILES | C1=CC(=C2C=C3C=CC4=C(C=CC5=C4C3=C(C2=C1)C=C5)O)CO |
| InChIKey | NXYDPLHGPNITDB-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene-7-methanol, 3-hydroxy- (CAS 79418-86-3), with molecular formula C21H14O2 and molecular weight 298.09937 g/mol. IUPAC: 7-(hydroxymethyl)benzo[a]pyren-3-ol.
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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