(4-Oxo-3,4-dihydro-2H-thiochromen-2-yl)acetic acid
[CAS# 86628-18-4]

Identification

• Name: (4-Oxo-3,4-dihydro-2H-thiochromen-2-yl)acetic acid
• Synonyms: 1-Thio-4-chromanone-2-acetic acid; 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-; 3,4-Dihydro-4-oxo-2H-1-benzothiopyran-2-acetic acid
• Molecular Formula: C₁₁H₁₀O₃S
• Molecular Weight: 222.26
• CAS Registry Number: 86628-18-4
• SMILES: O=C1c2c(SC(C1)CC(=O)O)cccc2
• InChI: 1S/C11H10O3S/c12-9-5-7(6-11(13)14)15-10-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,13,14)
• InChIKey: WSBIMPCUMHJQCO-UHFFFAOYSA-N

Properties

• Density: 1.352g/cm³ (Cal.)
• Boiling point: 445.238°C at 760 mmHg (Cal.)
• Flash point: 223.072°C (Cal.)