Compound Summary for: CID 70077

Molecular Formula: C4H9KO   Molecular Weight: 112.21196   InChIKey: LPNYRYFBWFDTMA-UHFFFAOYSA-N
Compound Information
CID 70077
Create Date: 2005-07-19
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 112.21196 [g/mol]
Molecular FormulaC4H9KO
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count0
Exact Mass112.029047
MonoIsotopic Mass112.029047
Topological Polar Surface Area23.1
Heavy Atom Count6
Formal Charge0
Complexity25.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Descriptors
IUPAC Namepotassium;2-methylpropan-2-olate
InChIInChI=1S/C4H9O.K/c1-4(2,3)5;/h1-3H3;/q-1;+1
InChIKeyLPNYRYFBWFDTMA-UHFFFAOYSA-N
Canonical SMILESCC(C)(C)[O-].[K+]
Isomeric SMILESCC(C)(C)[O-].[K+]
Old Version Substance Information