6-Methoxybenzo(a)pyrene-1,3-diol
6-methoxybenzo[a]pyrene-1,3-diol
Also Known As: 6-Methoxybenzo(a)pyrene-1,3-diol|6-methoxybenzo[a]pyrene-1,3-diol|6-methoxybenzo[pqr]tetraphene-1,3-diol
CAS: 74192-59-9
| Molecular Formula | C21H14O3 |
|---|---|
| Molecular Weight | 314.0943 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.0943 |
| Monoisotopic Mass | 314.0943 |
| Heavy Atoms | 24 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 74192-59-9 |
|---|---|
| SMILES | COC1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C5=CC=CC=C51)O)O |
| InChIKey | VMTCOSCEAHVQNT-UHFFFAOYSA-N |
Product Overview
6-Methoxybenzo(a)pyrene-1,3-diol (CAS 74192-59-9), with molecular formula C21H14O3 and molecular weight 314.0943 g/mol. IUPAC: 6-methoxybenzo[a]pyrene-1,3-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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