Home Carboxys potassium 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

potassium 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

CAS No.:
1177299-49-8
Catalog Number:
AG00J182
Molecular Formula:
C7H8KN3O2
Molecular Weight:
205.2556
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Product Description
Catalog Number:
AG00J182
Chemical Name:
potassium 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CAS Number:
1177299-49-8
Molecular Formula:
C7H8KN3O2
Molecular Weight:
205.2556
MDL Number:
MFCD12026866
IUPAC Name:
potassium;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
InChI:
InChI=1S/C7H9N3O2.K/c11-7(12)6-9-8-5-3-1-2-4-10(5)6;/h1-4H2,(H,11,12);/q;+1/p-1
InChI Key:
HSMLNXZPBWLCTF-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1nnc2n1CCCC2.[K+]
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.025g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.258g/mol
Monoisotopic Mass:
205.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties