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lithium(1+) ion 4-(2-methyloxetan-2-yl)benzoate

CAS No.:
2138042-45-0
Catalog Number:
AG01EKWF
Molecular Formula:
C11H11LiO3
Molecular Weight:
198.1442
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Product Description
Catalog Number:
AG01EKWF
Chemical Name:
lithium(1+) ion 4-(2-methyloxetan-2-yl)benzoate
CAS Number:
2138042-45-0
Molecular Formula:
C11H11LiO3
Molecular Weight:
198.1442
MDL Number:
MFCD31559294
IUPAC Name:
lithium;4-(2-methyloxetan-2-yl)benzoate
InChI:
InChI=1S/C11H12O3.Li/c1-11(6-7-14-11)9-4-2-8(3-5-9)10(12)13;/h2-5H,6-7H2,1H3,(H,12,13);/q;+1/p-1
InChI Key:
JJMZCWDRMDBNHX-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1ccc(cc1)C1(C)CCO1.[Li+]
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.087g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.146g/mol
Monoisotopic Mass:
198.087g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties