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5-(3,4-Dimethoxy-phenyl)-isoxazole-3-carboxylic acid Structure

5-(3,4-Dimethoxy-phenyl)-isoxazole-3-carboxylic acid

  • Product Name5-(3,4-Dimethoxy-phenyl)-isoxazole-3-carboxylic acid
  • CAS33282-17-6
  • CBNumberCB0378145
  • MFC12H11NO5
  • MW249.22
  • MDL NumberMFCD05667173
  • MOL File33282-17-6.mol

Chemical Properties

Boiling point: 461.6±45.0 °C(Predicted)
Density  1.302±0.06 g/cm3(Predicted)
storage temp.  2-8°C
pka 3.30±0.10(Predicted)
form  solid
InChI 1S/C12H11NO5/c1-16-9-4-3-7(5-11(9)17-2)10-6-8(12(14)15)13-18-10/h3-6H,1-2H3,(H,14,15)
InChIKey XIPXHDKCCWLQEV-UHFFFAOYSA-N
SMILES COc1ccc(cc1OC)-c2cc(no2)C(O)=O

Safety

Hazard Codes  Xi
WGK Germany  WGK 3
HazardClass  IRRITANT
HS Code  2934999090
Storage Class 11 - Combustible Solids

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