Compound Summary for: CID 62549

Molecular Formula: C12H25KO4S   Molecular Weight: 304.4878   InChIKey: ONQDVAFWWYYXHM-UHFFFAOYSA-M
Compound Information
CID 62549
Create Date: 2005-08-08
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 304.4878 [g/mol]
Molecular FormulaC12H25KO4S
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count11
Exact Mass304.111062
MonoIsotopic Mass304.111062
Topological Polar Surface Area74.8
Heavy Atom Count18
Formal Charge0
Complexity230
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;dodecyl sulfate
InChIInChI=1S/C12H26O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyONQDVAFWWYYXHM-UHFFFAOYSA-M
Canonical SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[K+]
Isomeric SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[K+]
Old Version Substance Information