5-Thiazolecarboxylic acid, 4-hydroxy-2-methyl-, ethyl ester


Chemical Name: 5-Thiazolecarboxylic acid, 4-hydroxy-2-methyl-, ethyl ester
CAS Number: 20737-48-8
Product Number: AG002J0H(AGN-PC-0O7NEU)
Synonyms:
MDL No:
Molecular Formula: C7H9NO3S
Molecular Weight: 187.2163

Identification/Properties


Computed Properties
Molecular Weight:
187.213g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
187.03g/mol
Monoisotopic Mass:
187.03g/mol
Topological Polar Surface Area:
87.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
176
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

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NMR Spectrum


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