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(2E)-3-[4-(METHYLSULFONYL)PHENYL]PROPENOIC ACID Structure

(2E)-3-[4-(METHYLSULFONYL)PHENYL]PROPENOIC ACID

Chemical Properties

Melting point 154-156
Boiling point 440.5±40.0 °C(Predicted)
Density  1.349±0.06 g/cm3(Predicted)
pka 2.54±0.10(Predicted)
form  solid
InChI 1S/C7H8N2O4/c1-12-5-3-4(7(10)11)6(13-2)9-8-5/h3H,1-2H3,(H,10,11)
InChIKey ONEYDHWMGJRWEV-UHFFFAOYSA-N
SMILES COc1cc(C(O)=O)c(OC)nn1
CAS DataBase Reference 89694-24-6(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37
WGK Germany  WGK 3
HazardClass  IRRITANT
HS Code  2933998090
Storage Class 11 - Combustible Solids

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