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21278-86-4 | 2-(Pyridin-4-yl)thiazole-4-carboxylic acid
CAS No: 21278-86-4 Catalog No: AG003F4I MDL No:MFCD00171745
Product Description
Catalog Number:
AG003F4I
Chemical Name:
2-(Pyridin-4-yl)thiazole-4-carboxylic acid
CAS Number:
21278-86-4
Molecular Formula:
C9H6N2O2S
Molecular Weight:
206.2211
MDL Number:
MFCD00171745
IUPAC Name:
2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C9H6N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChI Key:
COOQMBOJAAZEIR-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(n1)c1ccncc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.219g/mol
Monoisotopic Mass:
206.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| 4-(4-Carb-oxy-1,3-thia-zol-2-yl)pyridinium 3-carb-oxy-4-hydroxy-benzene-sulfonate dihydrate. | Acta crystallographica. Section E, Structure reports online 20081001 |
| A three-dimensional, noninterpenetrating metal--organic framework with the moganite topology: a simple (4(2)x6(2)x8(2))(4x6(4)x8)(2) net containing two kinds of topologically nonequivalent points. | Inorganic chemistry 20041101 |
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