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84100-84-5

Name 2,3,3-trimethyl-3H-indole-5-carboxylic acid
CAS 84100-84-5
EINECS(EC#) 282-162-4
Molecular Formula C12 H13 N O2
Molecular Weight 203.24
MOL File 84100-84-5.mol
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Chemical Properties

Melting point  208-210℃
Boiling point  350.2±42.0 °C(Predicted)
density  1.19
vapor pressure  0Pa at 25℃
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Dichloromethane (Slightly), Ethanol (Slightly)
form  Solid
pka 3.28±0.60(Predicted)
color  Yellow to Dark Yellow
Water Solubility  442mg/L at 20℃
InChI InChI=1S/C12H13NO2/c1-7-12(2,3)9-6-8(11(14)15)4-5-10(9)13-7/h4-6H,1-3H3,(H,14,15)
InChIKey QUDAPQXQGBIUAR-UHFFFAOYSA-N
SMILES N1C2=C(C=C(C(O)=O)C=C2)C(C)(C)C=1C
LogP 3.84 at 25℃

Safety Data

HS Code  2916399090

Hazard Information

Spectrum Detail

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