89776-74-9

Name 5-Isopropylisoxazole-3-carboxylic acid
CAS 89776-74-9
Molecular Formula C7H9NO3
MDL Number MFCD06738923
Molecular Weight 155.15
MOL File 89776-74-9.mol
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Chemical Properties

Melting point  69-73 °C(lit.)
Boiling point  298.2±28.0 °C(Predicted)
density  1.211±0.06 g/cm3(Predicted)
storage temp.  2-8°C
form  solid
pka 3.43±0.10(Predicted)
InChI 1S/C7H9NO3/c1-4(2)6-3-5(7(9)10)8-11-6/h3-4H,1-2H3,(H,9,10)
InChIKey AYWGKTMGWXRLRO-UHFFFAOYSA-N
SMILES CC(C)c1cc(no1)C(O)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Safety Statements 
WGK Germany  3
HazardClass  IRRITANT
HS Code  2934999090
Storage Class 11 - Combustible Solids

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