4-[3,4-(Ethylenedioxy)Phenyl]-4-Oxobutyric Acid
[CAS# 54557-81-2]

Identification

• Name: 4-[3,4-(Ethylenedioxy)Phenyl]-4-Oxobutyric Acid
• Synonyms: 4-(2,3-Dihydro-1,4-Benzodioxin-7-Yl)-4-Oxo-Butanoate; 4-(2,3-Dihydro-1,4-Benzodioxin-7-Yl)-4-Keto-Butyrate; Zinc03651466
• Molecular Formula: C₁₂H₁₁O₅
• Molecular Weight: 235.22
• CAS Registry Number: 54557-81-2
• SMILES: C2=C1OCCOC1=CC=C2C(=O)CCC([O-])=O
• InChI: 1S/C12H12O5/c13-9(2-4-12(14)15)8-1-3-10-11(7-8)17-6-5-16-10/h1,3,7H,2,4-6H2,(H,14,15)/p-1
• InChIKey: LMDXEMFSAHAGGP-UHFFFAOYSA-M

Properties

• Boiling point: 475.631°C at 760 mmHg (Cal.)
• Flash point: 189.138°C (Cal.)