2-acetyl-1,3-thiazole-5-carboxylic acid


Chemical Name: 2-acetyl-1,3-thiazole-5-carboxylic acid
CAS Number: 1095824-76-2
Product Number: AG008TCX(AGN-PC-088Q0T)
Synonyms:
MDL No:
Molecular Formula: C6H5NO3S
Molecular Weight: 171.1738

Identification/Properties


Computed Properties
Molecular Weight:
171.17g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
170.999g/mol
Monoisotopic Mass:
170.999g/mol
Topological Polar Surface Area:
95.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
194
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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