2,3,4,5,6,7-Hexahydro-2,4-Dioxo-3-Phenyl-1H-Cyclopentapyrimidine-1-Acetic Acid
[CAS# 49786-40-5]

Identification

• Name: 2,3,4,5,6,7-Hexahydro-2,4-Dioxo-3-Phenyl-1H-Cyclopentapyrimidine-1-Acetic Acid
• Synonyms: 2-(2,4-Diketo-3-Phenyl-6,7-Dihydro-5H-Cyclopenta[E]Pyrimidin-1-Yl)Acetic Acid; 2-(2,4-Dioxo-3-Phenyl-6,7-Dihydro-5H-Cyclopenta[E]Pyrimidin-1-Yl)Ethanoic Acid; 1-Carboxymethyl-2,4-Dioxo-3-Phenyl-1,2,3,4,6,7-Hexahydro-5H-Cyclopenta(D)Pyrimidine
• Molecular Formula: C₁₅H₁₄N₂O₄
• Molecular Weight: 286.29
• CAS Registry Number: 49786-40-5
• SMILES: C3=C(N1C(=O)C2=C(N(C1=O)CC(=O)O)CCC2)C=CC=C3
• InChI: 1S/C15H14N2O4/c18-13(19)9-16-12-8-4-7-11(12)14(20)17(15(16)21)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,18,19)
• InChIKey: VSVGMINYEOJZMP-UHFFFAOYSA-N

Properties

• Density: 1.47g/cm³ (Cal.)
• Boiling point: 500.621°C at 760 mmHg (Cal.)
• Flash point: 256.567°C (Cal.)