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2-(1,2-Benzisoxazol-3-yl)acetic acid Structure

2-(1,2-Benzisoxazol-3-yl)acetic acid

Chemical Properties

Melting point 123 °C
Boiling point 377.3±17.0 °C(Predicted)
Density  1.394±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  soluble in Methanol
form  powder to crystal
pka 3.60±0.30(Predicted)
color  White to Light yellow to Light orange
InChI InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)
InChIKey BVSIAYQIMUUCRW-UHFFFAOYSA-N
SMILES O1C2=C(C=CC=C2)C(CC(O)=O)=N1
CAS DataBase Reference 4865-84-3(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
HazardClass  IRRITANT
HS Code  29349990

Usage And Synthesis

Preparation Products And Raw materials

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