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115311-41-6 | 4-Thiazolecarboxylic acid, 2-(2-pyridinyl)-
CAS No: 115311-41-6 Catalog No: AG000GM0 MDL No:MFCD07375352
Product Description
Catalog Number:
AG000GM0
Chemical Name:
4-Thiazolecarboxylic acid, 2-(2-pyridinyl)-
CAS Number:
115311-41-6
Molecular Formula:
C9H6N2O2S
Molecular Weight:
206.2211
MDL Number:
MFCD07375352
IUPAC Name:
2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C9H6N2O2S/c12-9(13)7-5-14-8(11-7)6-3-1-2-4-10-6/h1-5H,(H,12,13)
InChI Key:
KJHHLEKGRGFSQH-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(n1)c1ccccn1
Properties
Complexity:
225
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
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