2-Phenyl-4-Piperonylidene-2-Oxazolin-5-One
[CAS# 6412-89-1]

Identification

• Name: 2-Phenyl-4-Piperonylidene-2-Oxazolin-5-One
• Synonyms: (4E)-4-(1,3-Benzodioxol-5-Ylmethylidene)-2-Phenyl-1,3-Oxazol-5-One; (4E)-4-(1,3-Benzodioxol-5-Ylmethylene)-2-Phenyl-Oxazol-5-One; 4-(1,3-Benzodioxol-5-Ylmethylene)-2-Phenyl-Oxazol-5-One
• Molecular Formula: C₁₇H₁₁NO₄
• Molecular Weight: 293.28
• CAS Registry Number: 6412-89-1
• SMILES: C1=CC=CC=C1C4=NC(=C/C3=CC2=C(OCO2)C=C3)/C(O4)=O
• InChI: 1S/C17H11NO4/c19-17-13(18-16(22-17)12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)21-10-20-14/h1-9H,10H2/b13-8+
• InChIKey: RKXHYEBOSSBZSH-MDWZMJQESA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 443.651°C at 760 mmHg (Cal.)
• Flash point: 205.051°C (Cal.)