4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-
(4R,5R)-1-nitro-4,5-dihydropyrene-4,5-diol
Also Known As: trans-4,5-Dihydro-4,5-dihydroxy-1-nitropyrene|trans-4,5-Dihydro-1-nitro-4,5-pyrenediol|4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-|(4R,5R)-1-nitro-4,5-dihydropyrene-4,5-diol|4,5-Dihydro-1-nitropyrene-4beta,5alpha-diol|4,5-Pyrenediol, 4,5-dihydro-1-nitro-, (4R,5R)-rel-|(4R,5R)-4,5-Dihydro-1-nitropyrene-4,5-diol
CAS: 86674-50-2
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.06882 g/mol |
| LogP | 2.9816 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.06882 |
| Monoisotopic Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 918.9333 |
Chemical Identifiers
| CAS Number | 86674-50-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)[C@H]([C@@H](C4=C3C(=C(C=C4)[N+](=O)[O-])C=C2)O)O |
Product Overview
4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans- (CAS 86674-50-2), with molecular formula C16H11NO4 and molecular weight 281.06882 g/mol. IUPAC: (4R,5R)-1-nitro-4,5-dihydropyrene-4,5-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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