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CAS Number: 17153-21-8
3-methyl-5-phenylisoxazole-4-carboxylic acid

Structure

3-methyl-5-phenylisoxazole-4-carboxylic acid
Name: 3-methyl-5-phenylisoxazole-4-carboxylic acid
Synonyms:
General Information
Product Number: 17153218

CAS Registry Number 17153-21-8
Name:
4-?Isoxazolecarboxylic acid, 3-?methyl-?5-?phenyl-
3-Methyl-5-phenyl-4-isoxazolecarboxylic acid
3-Methyl-5-phenylisoxazole-4-carboxylic acid

 

Chemical Formula: C11H9NO3
Exact Mass: 203.06
Molecular Weight: 203.19
m/z: 203.06 (100.0%), 204.06 (12.5%), 205.06 (1.3%)

 

InChI:InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(15-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)

InChI Key:GLNQCTGGLIXRRJ-UHFFFAOYSA-N

Canonical SMILES:CC1=NOC(=C1C(=O)O)C2=CC=CC=C2

 

Thermal Properties Value Condition Note
Melting Point 189 °C   (1)CAS
Melting Point 187-188 °C   (2)CAS
Melting Point 49-50 °C   (3)CAS

Specification

98%

References
  1. (1) Speroni, Giovanni; Gazzetta Chimica Italiana 1953, V83, P192-210 CAPLUS
  2. (2) Kochetkov, N. K.; Zhurnal Obshchei Khimii 1963, V33(4), P1196-9 CAPLUS
  3. (3) Benary, Erich; Berichte der Deutschen Chemischen Gesellschaft 1910, V42, P3912-25 CAPLUS
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