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137267-29-9 | 5-Thiazolecarboxylic acid, 4-methyl-2-(1-methylethyl)-
CAS No: 137267-29-9 Catalog No: AG001319 MDL No:MFCD09864423
Product Description
Catalog Number:
AG001319
Chemical Name:
5-Thiazolecarboxylic acid, 4-methyl-2-(1-methylethyl)-
CAS Number:
137267-29-9
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD09864423
IUPAC Name:
4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C8H11NO2S/c1-4(2)7-9-5(3)6(12-7)8(10)11/h4H,1-3H3,(H,10,11)
InChI Key:
MLCHZLUFNGBRSL-UHFFFAOYSA-N
SMILES:
CC(c1nc(c(s1)C(=O)O)C)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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