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1047676-42-5 | 5-Pyridin-3-yl-1,3-thiazole-4-carboxylic acid
CAS No: 1047676-42-5 Catalog No: AG01FA7O MDL No:
Product Description
Catalog Number:
AG01FA7O
Chemical Name:
5-Pyridin-3-yl-1,3-thiazole-4-carboxylic acid
CAS Number:
1047676-42-5
Molecular Formula:
C9H6N2O2S
Molecular Weight:
206.2211
IUPAC Name:
5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C9H6N2O2S/c12-9(13)7-8(14-5-11-7)6-2-1-3-10-4-6/h1-5H,(H,12,13)
InChI Key:
YOPSIDUMDHTXLJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncsc1c1cccnc1
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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