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

Base Information

• Chemical Name: 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
• CAS No.: 314282-22-9
• Molecular Formula: C24H27NO8
• Molecular Weight: 457.5
• DSSTox Substance ID: DTXSID001104641
• Mol file: 314282-22-9.mol

Synonyms: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;Oprea1_803425;314282-22-9;DTXSID001104641;STK049118;AKOS000485822;AKOS022078705;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

Chemical Property of 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

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 457.17366682
• Heavy Atom Count: 33
• Complexity: 894

Purity/Quality:

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 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical 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