CAS 22719-67-1

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;ethyl carbonate

2.1.2 InChI

InChI=1S/C3H6O3.K/c1-2-6-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1

2.1.3 InChI Key

WVCAATDGXHFREC-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCOC(=O)[O-].[K+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl6355220

2.3 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₃H₅KO₃
Molecular Weight	128.17 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	49.4
Heavy Atom Count	7
Formal Charge	0
Complexity	54.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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