3-Nitrobenzo(a)pyrene-trans-7,8-dihydrodiol
(7S,8S)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol
Also Known As: glutamylphenylalanine|KST-1A0136|3-Nitrobenzo(a)pyrene-trans-7,8-dihydrodiol|(7s,8s)-3-nitro-7,8-dihydrobenzo[pqr]tetraphene-7,8-diol|trans-7,8-Dihydro-3-nitrobenzo(a)pyrene-7,8-diol|3-Nitro-7,8-dihydrobenzo[pqr]tetraphene-7,8-diol|Benzo(a)pyrene-7,8-diol, 7,8-dihydro-3-nitro-, trans-|(7S,8S)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol|Benzo(a)pyrene-7,8-diol, 7,8-dihydro-3-nitro-, (7R,8R)-rel-|TRANS-7,8-DIHYDRO-3-NITROBENZO[A]PYRENE-7,8-DIOL
| Molecular Formula | C20H13NO4 |
|---|---|
| Molecular Weight | 331.08447 g/mol |
| LogP | 3.91 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.08447 |
| Heavy Atoms | 25 |
| Complexity | 1211.1 |
Chemical Identifiers
| CAS Number | 97576-08-4 |
|---|---|
| SMILES | C1=CC2=C(C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)[N+](=O)[O-])[C@@H]([C@H]1O)O |
Product Overview
3-Nitrobenzo(a)pyrene-trans-7,8-dihydrodiol (CAS 97576-08-4), with molecular formula C20H13NO4 and molecular weight 331.08447 g/mol. IUPAC: (7S,8S)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol.
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