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ACA Structure

ACA

Chemical Properties

Boiling point 563.1±50.0 °C(Predicted)
Density  1.178±0.06 g/cm3(Predicted)
storage temp.  room temp
solubility  DMSO: ≥20mg/mL
form  powder
pka 3.46±0.36(Predicted)
color  white to off-white
InChI 1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+
InChIKey GAMRBCZMOOMBSQ-CCEZHUSRSA-N
SMILES CCCCCc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1

Safety Information

Hazard Codes  N
Risk Statements  50/53
Safety Statements  60-61
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1

Usage And Synthesis

ACA Supplier