Chem
J-GLOBAL ID：200907090363844811   Nikkaji number：J41.512J

3-Phenyl-5-methylisoxazole-4-carboxylic acid

3-フェニル-5-メチルイソオキサゾール-4-カルボン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H9NO3
Molecular formula furigana： C11-H9-N-O3
Molecular weight： 203.197
InChI： InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChI key： PENHKTNQUJMHIR-UHFFFAOYSA-N
SMILES： Cc1onc(c1C(=O)O)c1ccccc1
Systematic name  (5)：
  • 5-メチル-3-フェニルイソオキサゾール-4-カルボン酸
  • 5-メチル-3-フェニル-4-イソオキサゾールカルボン酸
  • 3-フェニル-5-メチルイソオキサゾール-4-カルボン酸
  • 5-メチル-3-フェニル-1,2-オキサゾール-4-カルボン酸
  • 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
Other name (3)：
  • 5-Methyl-3-phenylisoxazole-4-carboxylic acid
  • 5-Methyl-3-phenyl-4-isoxazolecarboxylic acid
  • 3-Phenyl-5-methylisoxazole-4-carboxylic acid
CAS registry number： 1136-45-4
Regulation number (4)：
  • NY2750000
  • (9)-1145
  • EINECS2144979
  • TSCA(1136-45-4)
Thsaurus map：
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