AC1MWQNI
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: Oprea1_803425|KS-00004AY4|2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione|2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione|2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione|2-[(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)(6-nitro(2H-benzo[d]1,3-dio xolen-5-yl))methyl]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C24H27NO8 |
|---|---|
| Molecular Weight | 457.17368 g/mol |
| LogP | 4.1827 |
| Topological Polar Surface Area | 133.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.17368 |
| Monoisotopic Mass | 457.17368 |
| Heavy Atoms | 33 |
| Complexity | 1093.7062 |
Chemical Identifiers
| CAS Number | 314282-22-9 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=C(CC(CC4=O)(C)C)O)C |
Product Overview
AC1MWQNI (CAS 314282-22-9), with molecular formula C24H27NO8 and molecular weight 457.17368 g/mol. IUPAC: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
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