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3'-Ketohexobarbital [427-30-5]

 
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Identification
Copyright
CAS # 427-30-5, 3'-Ketohexobarbital
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
down Properties
Desity 1.322g/cm3 (Cal.)
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