3-Hydroxyphenobarbital
[CAS# 427-17-8]

Identification

• Name: 3-Hydroxyphenobarbital
• Synonyms: 5-Ethyl-5-(3-Hydroxyphenyl)Hexahydropyrimidine-2,4,6-Trione; 5-Ethyl-5-(3-Hydroxyphenyl)Barbituric Acid; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-Ethyl-5-(3-Hydroxyphenyl)-
• Molecular Formula: C₁₂H₁₂N₂O₄
• Molecular Weight: 248.24
• CAS Registry Number: 427-17-8
• SMILES: C2=C(C1(C(=O)NC(=O)NC1=O)CC)C=CC=C2O
• InChI: 1S/C12H12N2O4/c1-2-12(7-4-3-5-8(15)6-7)9(16)13-11(18)14-10(12)17/h3-6,15H,2H2,1H3,(H2,13,14,16,17,18)
• InChIKey: XZXIQAVQTAJHPV-UHFFFAOYSA-N

Properties

• Density: 1.33g/cm³ (Cal.)