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4-Methyl-5-thiazolecarboxylic acid,MLS000715426,633666_ALDRICH,5-Thiaz

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摘 要:4-Methyl-5-thiazolecarboxylic acid,MLS000715426,633666_ALDRICH,5-Thiazolecarboxylic acid, 4-methyl-,BRN 0120745,4-Methyl-thiazole-5-carboxylic acid,SBB010167,BAS 00125251,SMR000275405,4-Methyl-1,3-thiazole-5-carboxylic acid, 4-methyl-1,3-thiazole-5-c
[Synonyms]
4-Methyl-5-thiazolecarboxylic acid
MLS000715426
633666_ALDRICH
5-Thiazolecarboxylic acid, 4-methyl-
BRN 0120745
4-Methyl-thiazole-5-carboxylic acid
SBB010167
BAS 00125251
SMR000275405
4-Methyl-1,3-thiazole-5-carboxylic acid

[Structure]
4-Methyl-5-thiazolecarboxylic acid,MLS000715426,633666_ALDRICH,5-Thiaz

[ Properties Computed from Structure]
Molecular Weight143.1637 [g/mol]
Molecular FormulaC5H5NO2S
XLogP0.4
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count1
Exact Mass143.004099
MonoIsotopic Mass143.004099
Topological Polar Surface Area50.2
Heavy Atom Count9
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-methyl-1,3-thiazole-5-carboxylic acid
Canonical SMILES: CC1=C(SC=N1)C(=O)O
InChI: InChI=1/C5H5NO2S/c1-3-4(5(7)8)9-2-6-3/h2H,1H3,(H,7,8)/f/h7H

 
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