Home Carboxys 3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

CAS No.:
1432680-45-9
Catalog Number:
AG01A4GW
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
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Product Description
Catalog Number:
AG01A4GW
Chemical Name:
3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CAS Number:
1432680-45-9
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
MDL Number:
MFCD22396895
IUPAC Name:
3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
InChI:
InChI=1S/C7H9N3O3/c11-6(12)4-1-2-5-8-9-7(13)10(5)3-4/h4H,1-3H2,(H,9,13)(H,11,12)
InChI Key:
NGYYYNPZWSICGP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2n(C1)c(=O)[nH]n2
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.167g/mol
Monoisotopic Mass:
183.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties