2,4-Thiazoledicarboxylic acid,4-(1,1-dimethylethyl) ester


Chemical Name: 2,4-Thiazoledicarboxylic acid,4-(1,1-dimethylethyl) ester
CAS Number: 1029432-03-8
Product Number: AG003FVP(AGN-PC-0WAM0E)
Synonyms:
MDL No:
Molecular Formula: C9H11NO4S
Molecular Weight: 229.2529

Identification/Properties


Properties
BP:
377.2±34.0 °C(Predicted)
Computed Properties
Molecular Weight:
229.25g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
229.041g/mol
Monoisotopic Mass:
229.041g/mol
Topological Polar Surface Area:
105A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
274
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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