AC1L42CF
(1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione
Also Known As: (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione|Anthra(1,2-b)oxirene-4,9-dione, 1a,2,3,9b-tetrahydro-2,3,5,8-tetrahydroxy-2-methyl-, (1aalpha,2beta,3alpha,9balpha)-
CAS: 98718-97-9
| Molecular Formula | C15H12O7 |
|---|---|
| Molecular Weight | 304.0583 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.0583 |
| Monoisotopic Mass | 304.0583 |
| Heavy Atoms | 22 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 98718-97-9 |
|---|---|
| SMILES | C[C@]1([C@@H]2[C@@H](O2)C3=C([C@@H]1O)C(=C4C(=O)C=CC(=O)C4=C3O)O)O |
| InChIKey | WCUYJLIRXRBCFF-AJNGGQMLSA-N |
Product Overview
AC1L42CF (CAS 98718-97-9), with molecular formula C15H12O7 and molecular weight 304.0583 g/mol. IUPAC: (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione.
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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