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40004-69-1 | 2-Methyl-5-thiazolecarboxylic acid
CAS No: 40004-69-1 Catalog No: AG0033DU MDL No:MFCD01760300
Product Description
Catalog Number:
AG0033DU
Chemical Name:
2-Methyl-5-thiazolecarboxylic acid
CAS Number:
40004-69-1
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
MDL Number:
MFCD01760300
IUPAC Name:
2-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)
InChI Key:
QCXCIYPOMMIBHO-UHFFFAOYSA-N
SMILES:
Cc1ncc(s1)C(=O)O
NSC Number:
170606
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.16g/mol
Monoisotopic Mass:
143.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Agonist lead identification for the high affinity niacin receptor GPR109a. | Bioorganic & medicinal chemistry letters 20070901 |
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