Home Other Building Blocks lithium 4-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)benzoate

lithium 4-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)benzoate

CAS No.:
2126161-99-5
Catalog Number:
AG01BJI4
Molecular Formula:
C9H6LiN3O3
Molecular Weight:
211.1032
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Product Description
Catalog Number:
AG01BJI4
Chemical Name:
lithium 4-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)benzoate
CAS Number:
2126161-99-5
Molecular Formula:
C9H6LiN3O3
Molecular Weight:
211.1032
MDL Number:
MFCD31421624
IUPAC Name:
lithium;4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)benzoate
InChI:
InChI=1S/C9H7N3O3.Li/c13-8(14)6-3-1-5(2-4-6)7-10-9(15)12-11-7;/h1-4H,(H,13,14)(H2,10,11,12,15);/q;+1/p-1
InChI Key:
BDQVKTXHLXDGPT-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1ccc(cc1)c1n[nH]c(=O)[nH]1.[Li+]
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.105g/mol
Monoisotopic Mass:
211.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties