4-(2,5-Dimethylthien-3-Yl)-4-Oxobutanoic Acid
[CAS# 6007-77-8]

Identification

• Name: 4-(2,5-Dimethylthien-3-Yl)-4-Oxobutanoic Acid
• Synonyms: 4-(2,5-Dimethyl-3-Thienyl)-4-Oxo-Butanoate; 4-(2,5-Dimethyl-3-Thienyl)-4-Oxobutanoate; 4-(2,5-Dimethyl-3-Thienyl)-4-Keto-Butyrate
• Molecular Formula: C₁₀H₁₁O₃S
• Molecular Weight: 211.26
• CAS Registry Number: 6007-77-8
• SMILES: C1=C(SC(=C1C(=O)CCC([O-])=O)C)C
• InChI: 1S/C10H12O3S/c1-6-5-8(7(2)14-6)9(11)3-4-10(12)13/h5H,3-4H2,1-2H3,(H,12,13)/p-1
• InChIKey: KGHDSIBUTCYURM-UHFFFAOYSA-M

Properties

• Boiling point: 394.317°C at 760 mmHg (Cal.)
• Flash point: 192.276°C (Cal.)