3'-Ketohexobarbital
[CAS# 427-30-5]

Identification

• Name: 3'-Ketohexobarbital
• Synonyms: 1,5-Dimethyl-5-(3-Oxo-1-Cyclohexenyl)Hexahydropyrimidine-2,4,6-Trione; 5-(3-Keto-1-Cyclohexenyl)-1,5-Dimethyl-Barbituric Acid; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,5-Dimethyl-5-(3-Oxo-1-Cyclohexen-1-Yl)-
• Molecular Formula: C₁₂H₁₄N₂O₄
• Molecular Weight: 250.25
• CAS Registry Number: 427-30-5
• SMILES: CC1(C(=O)N(C(=O)NC1=O)C)C2=CC(=O)CCC2
• InChI: 1S/C12H14N2O4/c1-12(7-4-3-5-8(15)6-7)9(16)13-11(18)14(2)10(12)17/h6H,3-5H2,1-2H3,(H,13,16,18)
• InChIKey: JLDHHLBFGIBRGN-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)