Home Carboxys lithium(1+) ion 5-methyl-1H-1,2,4-triazole-3-carboxylate

lithium(1+) ion 5-methyl-1H-1,2,4-triazole-3-carboxylate

CAS No.:
1955507-13-7
Catalog Number:
AG01C1N6
Molecular Formula:
C4H4LiN3O2
Molecular Weight:
133.0345
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Product Description
Catalog Number:
AG01C1N6
Chemical Name:
lithium(1+) ion 5-methyl-1H-1,2,4-triazole-3-carboxylate
CAS Number:
1955507-13-7
Molecular Formula:
C4H4LiN3O2
Molecular Weight:
133.0345
IUPAC Name:
lithium;5-methyl-1H-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C4H5N3O2.Li/c1-2-5-3(4(8)9)7-6-2;/h1H3,(H,8,9)(H,5,6,7);/q;+1/p-1
InChI Key:
MNZVFHNNEYBLQZ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1n[nH]c(n1)C.[Li+]
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.046g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
133.035g/mol
Monoisotopic Mass:
133.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties