Compound Summary for: CID 31394

Molecular Formula: C2HKO4   Molecular Weight: 128.12524   InChIKey: JMTCDHVHZSGGJA-UHFFFAOYSA-M
Compound Information
CID 31394
Create Date: 2005-08-08
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 128.12524 [g/mol]
Molecular FormulaC2HKO4
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count0
Exact Mass127.95119
MonoIsotopic Mass127.95119
Topological Polar Surface Area77.4
Heavy Atom Count7
Formal Charge0
Complexity78
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-hydroxy-2-oxoacetate
InChIInChI=1S/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1
InChIKeyJMTCDHVHZSGGJA-UHFFFAOYSA-M
Canonical SMILESC(=O)(C(=O)[O-])O.[K+]
Isomeric SMILESC(=O)(C(=O)[O-])O.[K+]
Old Version Substance Information