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3-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID Structure

3-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID

Chemical Properties

Boiling point 389.2±27.0 °C(Predicted)
Density  1.24±0.1 g/cm3(Predicted)
storage temp.  Store at Room Tem.
form  solid
pka 3.96±0.10(Predicted)
InChI 1S/C12H12O3/c1-12(2,15)7-6-9-4-3-5-10(8-9)11(13)14/h3-5,8,15H,1-2H3,(H,13,14)
InChIKey VKXLALQKRXWOJK-UHFFFAOYSA-N
SMILES CC(C)(O)C#Cc1cccc(c1)C(O)=O

Safety Information

Hazard Codes  Xn
Risk Statements  22-36
Safety Statements  26
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2

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