4-Thiazolecarboxylic acid, 2-(1-methylethyl)-


Chemical Name: 4-Thiazolecarboxylic acid, 2-(1-methylethyl)-
CAS Number: 234445-61-5
Product Number: AG002N94(AGN-PC-03TFSM)
Synonyms:
MDL No:
Molecular Formula: C7H9NO2S
Molecular Weight: 171.2169

Identification/Properties


Computed Properties
Molecular Weight:
171.214g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
171.035g/mol
Monoisotopic Mass:
171.035g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
161
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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