Home Other Building Blocks potassium 2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetate

potassium 2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetate

CAS No.:
1156977-76-2
Catalog Number:
AG019LM1
Molecular Formula:
C8H6KN3O3
Molecular Weight:
231.2498
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Product Description
Catalog Number:
AG019LM1
Chemical Name:
potassium 2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetate
CAS Number:
1156977-76-2
Molecular Formula:
C8H6KN3O3
Molecular Weight:
231.2498
MDL Number:
MFCD09971552
IUPAC Name:
potassium;2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetate
InChI:
InChI=1S/C8H7N3O3.K/c12-7(13)5-11-8(14)10-4-2-1-3-6(10)9-11;/h1-4H,5H2,(H,12,13);/q;+1/p-1
InChI Key:
CTMTYCWZAZRBSC-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cn1nc2n(c1=O)cccc2.[K+]
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.252g/mol
Monoisotopic Mass:
231.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties