9-Methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene
(4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol
Also Known As: 9-Mdd-benzo(a)pyrene|9-Methoxy-4,5-dihydrobenzo(a)pyrene-4,5-diol|9-Methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene|(4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol|Benzo(a)pyrene-4,5-diol, 4,5-dihydro-9-methoxy-, trans-|9-Methoxy-4,5-dihydrobenzo[pqr]tetraphene-4,5-diol|(4S,5S)-9-Methoxy-4,5-dihydrobenzo[pqr]tetraphene-4,5-diol
| Molecular Formula | C21H16O3 |
|---|---|
| Molecular Weight | 316.10995 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.10995 |
| Monoisotopic Mass | 316.10995 |
| Heavy Atoms | 24 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 87771-55-9 |
|---|---|
| SMILES | COC1=CC2=C3C=CC4=C5C3=C(C=C2C=C1)[C@@H]([C@H](C5=CC=C4)O)O |
| InChIKey | INBRASMQRHSCFN-SFTDATJTSA-N |
Product Overview
9-Methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene (CAS 87771-55-9), with molecular formula C21H16O3 and molecular weight 316.10995 g/mol. IUPAC: (4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol.
9-Methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene is a custom synthesis product. We offer services from milligram to kilogram scale.
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