(4Z)-4-(1,3-Benzodioxol-5-Ylmethylene)-2-Methyl-1,3-Oxazol-5(4H)-One
[CAS# 41888-62-4]

Identification

• Name: (4Z)-4-(1,3-Benzodioxol-5-Ylmethylene)-2-Methyl-1,3-Oxazol-5(4H)-One
• Synonyms: (4Z)-4-(1,3-Benzodioxol-5-ylmethylene)-2-methyl-1,3-oxazol-5(4H)-one #; 5(4H)-Oxazolone, 4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-; 5(4H)-Oxazolone, 4-(1,3-benzodioxol-5-ylmethylene)-2-methyl- (en)
• Molecular Formula: C₁₂H₉NO₄
• Molecular Weight: 231.20
• CAS Registry Number: 41888-62-4
• SMILES: O=C1O\C(=N/C1=C\c2ccc3OCOc3c2)C
• InChI: 1S/C12H9NO4/c1-7-13-9(12(14)17-7)4-8-2-3-10-11(5-8)16-6-15-10/h2-5H,6H2,1H3/b9-4-
• InChIKey: YIPBMFCRAFHCPQ-WTKPLQERSA-N

Properties

• Density: 1.437g/cm³ (Cal.)
• Boiling point: 357.972°C at 760 mmHg (Cal.)
• Flash point: 175.135°C (Cal.)