3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)benzoic acid

CAS Registry Number®

223646-24-0

CAS Name

3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)benzoic acid

Molecular Formula

C12H13NO5S

Molecular Mass

283.30

Cite this Page

3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=223646-24-0 (retrieved 2025-01-03) (CAS RN: 223646-24-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)

InChIKey

InChIKey=JHIDHJCCPYAESR-UHFFFAOYSA-N

SMILES

S(C)(=O)(=O)C1=C(C(C)=C(C(O)=O)C=C1)C=2CCON2

Canonical SMILES

O=C(O)C1=CC=C(C(C2=NOCC2)=C1C)S(=O)(=O)C

Other Names for this Substance

  • Benzoic acid, 3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)-
  • 3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)benzoic acid

Deleted or Replaced CAS Registry Numbers

2240175-39-5

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