Home Carboxys lithium(1+) ion 1-(propan-2-yl)-1H-1,2,4-triazole-5-carboxylate

lithium(1+) ion 1-(propan-2-yl)-1H-1,2,4-triazole-5-carboxylate

CAS No.:
1803607-32-0
Catalog Number:
AG01BG36
Molecular Formula:
C6H8LiN3O2
Molecular Weight:
161.0876
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Product Description
Catalog Number:
AG01BG36
Chemical Name:
lithium(1+) ion 1-(propan-2-yl)-1H-1,2,4-triazole-5-carboxylate
CAS Number:
1803607-32-0
Molecular Formula:
C6H8LiN3O2
Molecular Weight:
161.0876
MDL Number:
MFCD28118819
IUPAC Name:
lithium;2-propan-2-yl-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C6H9N3O2.Li/c1-4(2)9-5(6(10)11)7-3-8-9;/h3-4H,1-2H3,(H,10,11);/q;+1/p-1
InChI Key:
SADOXLQVTFPDCI-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1ncnn1C(C)C.[Li+]
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.078g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.089g/mol
Monoisotopic Mass:
161.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties