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Home >> Chemical Listing >> Page 299 >> 2-(3-Oxo-1,2-Benzothiazol-2(3H)-Yl)Butanoic Acid

2-(3-Oxo-1,2-Benzothiazol-2(3H)-Yl)Butanoic Acid
[CAS# 126684-64-8]

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Identification
Name 2-(3-Oxo-1,2-Benzothiazol-2(3H)-Yl)Butanoic Acid
Synonyms 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)butanoic acid; 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid
Molecular Structure CAS#: 126684-64-8, 2-(3-Oxo-1,2-Benzothiazol-2(3H)-Yl)Butanoic Acid
Molecular Formula C11H11NO3S
Molecular Weight 237.27
CAS Registry Number 126684-64-8
SMILES O=C(O)C(N2Sc1ccccc1C2=O)CC
InChI 1S/C11H11NO3S/c1-2-8(11(14)15)12-10(13)7-5-3-4-6-9(7)16-12/h3-6,8H,2H2,1H3,(H,14,15)
InChIKey UIFVNRXDJBVKGJ-UHFFFAOYSA-N
Properties
Density 1.406g/cm3 (Cal.)
Boiling point 441.678°C at 760 mmHg (Cal.)
Flash point 220.919°C (Cal.)
Refractive index 1.644 (Cal.)
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