4-(4,5-Dihydro-5,5-Dimethyl-1-Phenyl-1H-Pyrazol-3-Yl)-3-Hydroxyfuran-2(5H)-One
[CAS# 50413-16-6]

Identification

• Name: 4-(4,5-Dihydro-5,5-Dimethyl-1-Phenyl-1H-Pyrazol-3-Yl)-3-Hydroxyfuran-2(5H)-One
• Synonyms: (4Z)-4-(5,5-Dimethyl-1-Phenyl-Pyrazolidin-3-Ylidene)Tetrahydrofuran-2,3-Dione; (4Z)-4-(5,5-Dimethyl-1-Phenyl-3-Pyrazolidinylidene)Tetrahydrofuran-2,3-Dione; (4Z)-4-(5,5-Dimethyl-1-Phenyl-Pyrazolidin-3-Ylidene)Tetrahydrofuran-2,3-Quinone
• Molecular Formula: C₁₅H₁₆N₂O₃
• Molecular Weight: 272.30
• CAS Registry Number: 50413-16-6
• SMILES: C3=C(N1NC(/CC1(C)C)=C2/COC(=O)C2=O)C=CC=C3
• InChI: 1S/C15H16N2O3/c1-15(2)8-12(11-9-20-14(19)13(11)18)16-17(15)10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3/b12-11-
• InChIKey: RBXWAVKIUGWBLR-QXMHVHEDSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 372.38°C at 760 mmHg (Cal.)
• Flash point: 179.009°C (Cal.)