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Home Carboxys 2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid

2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid

CAS No.:
21278-86-4
Catalog Number:
AG003F4I
Molecular Formula:
C9H6N2O2S
Molecular Weight:
206.2211
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$32
- +
5g
96%
In Stock USA
United States
$88
- +
10g
96%
In Stock USA
United States
$132
- +
25g
96%
In Stock USA
United States
$300
- +
100g
96%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG003F4I
Chemical Name:
2-(Pyridin-4-yl)-1,3-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
Properties