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

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

CAS No.:
1803582-61-7
Catalog Number:
AG01ALI7
Molecular Formula:
C10H8LiN3O2
Molecular Weight:
209.1304
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01ALI7
Chemical Name:
lithium(1+) ion 4-methyl-5-phenyl-4H-1,2,4-triazole-3-carboxylate
CAS Number:
1803582-61-7
Molecular Formula:
C10H8LiN3O2
Molecular Weight:
209.1304
MDL Number:
MFCD28954371
IUPAC Name:
lithium;4-methyl-5-phenyl-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C10H9N3O2.Li/c1-13-8(7-5-3-2-4-6-7)11-12-9(13)10(14)15;/h2-6H,1H3,(H,14,15);/q;+1/p-1
InChI Key:
NGTWVPJHVJWSED-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1nnc(n1C)c1ccccc1.[Li+]
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.078g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.133g/mol
Monoisotopic Mass:
209.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties