[2-[3-(1,5-Dihydro-3-Methyl-5-Oxo-1-Phenyl-4H-Pyrazol-4-Ylidene)-1-Propenyl]Phenoxy]Acetic Acid
[CAS# 94158-17-5]

Identification

• Name: [2-[3-(1,5-Dihydro-3-Methyl-5-Oxo-1-Phenyl-4H-Pyrazol-4-Ylidene)-1-Propenyl]Phenoxy]Acetic Acid
• Synonyms: 2-[2-[(E,3Z)-3-(3-Methyl-5-Oxo-1-Phenyl-Pyrazol-4-Ylidene)Prop-1-Enyl]Phenoxy]Acetic Acid; 2-[2-[(E,3Z)-3-(3-Methyl-5-Oxo-1-Phenyl-4-Pyrazolylidene)Prop-1-Enyl]Phenoxy]Acetic Acid; 2-[2-[(E,3Z)-3-(5-Keto-3-Methyl-1-Phenyl-Pyrazol-4-Ylidene)Prop-1-Enyl]Pheno
• Molecular Formula: C₂₁H₁₈N₂O₄
• Molecular Weight: 362.38
• CAS Registry Number: 94158-17-5
• EINECS: 303-088-1
• SMILES: C3=C(N1N=C(C(/C1=O)=C/C=C/C2=C(OCC(=O)O)C=CC=C2)C)C=CC=C3
• InChI: 1S/C21H18N2O4/c1-15-18(21(26)23(22-15)17-10-3-2-4-11-17)12-7-9-16-8-5-6-13-19(16)27-14-20(24)25/h2-13H,14H2,1H3,(H,24,25)/b9-7+,18-12-
• InChIKey: CPDCFQUIJBFGEV-FHZYVREQSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 562.686°C at 760 mmHg (Cal.)
• Flash point: 294.102°C (Cal.)