Home Carboxys lithium(1+) ion 5-benzyl-1,2,4-oxadiazole-3-carboxylate

lithium(1+) ion 5-benzyl-1,2,4-oxadiazole-3-carboxylate

CAS No.:
2138426-63-6
Catalog Number:
AG01EKC2
Molecular Formula:
C10H7LiN2O3
Molecular Weight:
210.1152
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Product Description
Catalog Number:
AG01EKC2
Chemical Name:
lithium(1+) ion 5-benzyl-1,2,4-oxadiazole-3-carboxylate
CAS Number:
2138426-63-6
Molecular Formula:
C10H7LiN2O3
Molecular Weight:
210.1152
MDL Number:
MFCD31435804
IUPAC Name:
lithium;5-benzyl-1,2,4-oxadiazole-3-carboxylate
InChI:
InChI=1S/C10H8N2O3.Li/c13-10(14)9-11-8(15-12-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,13,14);/q;+1/p-1
InChI Key:
XEELJLRMQYIRCK-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1noc(n1)Cc1ccccc1.[Li+]
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.117g/mol
Monoisotopic Mass:
210.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties