α-Methyl-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid

CAS Registry Number®

89139-49-1

CAS Name

α-Methyl-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid

Molecular Formula

C10H9NO3S

Molecular Mass

223.25

Cite this Page

α-Methyl-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89139-49-1 (retrieved 2024-11-06) (CAS RN: 89139-49-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205-206 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C10H9NO3S/c1-6(10(13)14)11-9(12)7-4-2-3-5-8(7)15-11/h2-6H,1H3,(H,13,14)

InChIKey

InChIKey=OMDISURAFHPIHS-UHFFFAOYSA-N

SMILES

O=C1C=2C(SN1C(C(O)=O)C)=CC=CC2

Canonical SMILES

O=C(O)C(N1SC=2C=CC=CC2C1=O)C

Other Names for this Substance

  • 1,2-Benzisothiazole-2(3H)-acetic acid, α-methyl-3-oxo-
  • α-Methyl-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid
  • 2-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanoic acid

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