Chemical Compound

4,5-dimethylisoxazole-3-carboxylic acid

CAS Registry Number100047-61-8
4,5-dimethylisoxazole-3-carboxylic acid chemical structure
Primary record

4,5-dimethylisoxazole-3-carboxylic acid

CAS
100047-61-8
PubChem CID
7018552
SMILES
CC1=C(ON=C1C(=O)O)C
Molecular Formula
C6H7NO3
Molecular Weight
141.126
Exact Mass
141.0426
InChI
InChI=1S/C6H7NO3/c1-3-4(2)10-7-5(3)6(8)9/h1-2H3,(H,8,9)
InChIKey
KLPASEZGNSBTBD-UHFFFAOYSA-N
LogP
0.9896
TPSA
63.33

Names and synonyms

  • 4,5-dimethylisoxazole-3-carboxylic acid
  • 100047-61-8
  • 4,5-DIMETHYL-ISOXAZOLE-3-CARBOXYLIC ACID
  • ACMC-1BTIA
  • MFCD05667138
  • Indole-5-carboxylic acid
  • RefChem:507844
  • C6H7NO3
  • 4,5-dimethyl-1,2-oxazole-3-carboxylic acid
  • dimethyl-1,2-oxazole-3-carboxylic acid
  • 3-Isoxazolecarboxylic acid, 4,5-dimethyl-
  • SCHEMBL2131097
  • ALBB-004546
  • CTK0H2328
  • DTXSID90426997
  • KLPASEZGNSBTBD-UHFFFAOYSA-N
  • ZINC2552488
  • 0061AA
  • ANW-72234
  • BBL016023
  • SBB022659
  • STK312504
  • 3-Isoxazolecarboxylicacid, 4,5-dimethyl-
  • AKOS000311446
  • 4,5-dimethylisoxazole-3-carboxylicacid
  • ACN-049020
  • CCG-321669
  • CID7018552
  • RTR-000028
  • 3-Isoxazolecarboxylicacid,4,5-dimethyl-