Benzo(a)pyrene, 3,6-dimethoxy-
3,6-dimethoxybenzo[a]pyrene
Also Known As: benzo[a]pyrene, 3,6-dimethoxy-|3,6-dimethoxybenzo[a]pyrene|Benzo(a)pyrene, 3,6-dimethoxy-|3,6-Dimethoxy-benzo[def]chrysen|3,6-Dimethoxybenzo[pqr]tetraphene
CAS: 6966-35-4
| Molecular Formula | C22H16O2 |
|---|---|
| Molecular Weight | 312.11502 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.11502 |
| Monoisotopic Mass | 312.11502 |
| Heavy Atoms | 24 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 6966-35-4 |
|---|---|
| SMILES | COC1=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C(C=C5)C=C1)OC |
| InChIKey | MGZUIFMCVYHRBW-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene, 3,6-dimethoxy- (CAS 6966-35-4), with molecular formula C22H16O2 and molecular weight 312.11502 g/mol. IUPAC: 3,6-dimethoxybenzo[a]pyrene.
Safety Data Sheet (MSDS / SDS)
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