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

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

CAS No.:
941055-65-8
Catalog Number:
AG019KM9
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
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Product Description
Catalog Number:
AG019KM9
Chemical Name:
2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetic acid
CAS Number:
941055-65-8
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD09396709
IUPAC Name:
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid
InChI:
InChI=1S/C8H7N3O3/c12-7(13)5-11-8(14)10-4-2-1-3-6(10)9-11/h1-4H,5H2,(H,12,13)
InChI Key:
XJKVVRVSPXRKSC-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc2n(c1=O)cccc2
Properties
Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties