Deoxyhydroxyaspergillic acid
6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)-1H-pyrazin-2-one
Also Known As: Deoxyhydroxyaspergillic acid|ASPERGILLIC ACID, DEOXYHYDROXY-|2(1H)-Pyrazinone, 6-(1-hydroxy-1-methylpropyl)-3-isobutyl-|2(1H)-Pyrazinone, 6-(1-hydroxy-1-methylpropyl)-3-(2-methylpropyl)-|6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)-1H-pyrazin-2-one
CAS: 17005-11-7
| Molecular Formula | C12H20N2O2 |
|---|---|
| Molecular Weight | 224.15248 g/mol |
| LogP | 1.5859 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.15248 |
| Monoisotopic Mass | 224.15248 |
| Heavy Atoms | 16 |
| Complexity | 407.72495 |
Chemical Identifiers
| CAS Number | 17005-11-7 |
|---|---|
| SMILES | CCC(C)(C1=CN=C(C(=O)N1)CC(C)C)O |
Product Overview
Deoxyhydroxyaspergillic acid (CAS 17005-11-7), with molecular formula C12H20N2O2 and molecular weight 224.15248 g/mol. IUPAC: 6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)-1H-pyrazin-2-one.
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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