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137720-38-8 | 2-Butanone, 3-hydroxy-3-methyl-, lithium salt (1:1)
CAS No: 137720-38-8 Catalog No: AG0013SC MDL No:
Product Description
Catalog Number:
AG0013SC
Chemical Name:
2-Butanone, 3-hydroxy-3-methyl-, lithium salt (1:1)
CAS Number:
137720-38-8
Molecular Formula:
C5H10LiO2
Molecular Weight:
109.0727
IUPAC Name:
lithium;2-methyl-3-oxobutan-2-olate
InChI:
InChI=1S/C5H9O2.Li/c1-4(6)5(2,3)7;/h1-3H3;/q-1;+1
InChI Key:
XBIFWYTVLHVBSL-UHFFFAOYSA-N
SMILES:
CC(=O)C(O)(C)C.[Li]
Properties
Complexity:
88.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.076g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.065g/mol
Monoisotopic Mass:
108.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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