1239233-87-4

Name 2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid
CAS 1239233-87-4
Molecular Formula C16H17NO5S
MDL Number MFCD29050077
Molecular Weight 335.37
MOL File 1239233-87-4.mol
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Chemical Properties

Melting point  218-222°C
Boiling point  568.9±60.0 °C(Predicted)
density  1.327±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 1.21±0.37(Predicted)
color  White to Off-White
InChI InChI=1S/C16H17NO5S/c1-8(2)7-22-12-5-4-10(6-11(12)15(18)19)14-17-9(3)13(23-14)16(20)21/h4-6,8H,7H2,1-3H3,(H,18,19)(H,20,21)
InChIKey WSCLTDCYZOTAKS-UHFFFAOYSA-N
SMILES S1C(C(O)=O)=C(C)N=C1C1=CC=C(OCC(C)C)C(C(O)=O)=C1

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