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563-17-7

Basic Information
CAS No.: 563-17-7
Name: ETHYL POTASSIUM SULFATE
Molecular Structure:
Molecular Structure of 563-17-7 (ETHYL POTASSIUM SULFATE)
Formula: C2H5KO4S
Molecular Weight: 164.224
Synonyms: Ethyl potassium sulfate;Ethylsulfuric acid potassium salt;Potassium ethyl sulfate;Potassium monoethylsulfate;
EINECS: 209-244-4
PSA: 74.81000
LogP: 0.56390
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Specification

The Sulfuric acid,monoethyl ester, potassium salt (1:1), with the CAS registry number 563-17-7, is also known as Ethyl potassium sulfate. Its EINECS number is 209-244-4. This chemical's molecular formula is C2H5KO4S and molecular weight is 164.22. What's more, its systematic name is potassium ethyl sulfate.

Physical properties of Sulfuric acid,monoethyl ester, potassium salt (1:1) are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.42; (4)ACD/LogD (pH 7.4): -3.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.98 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [K+].[O-]S(=O)(=O)OCC
(2)Std. InChI: InChI=1S/C2H6O4S.K/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
(3)Std. InChIKey: FUGINSUSTSZAEY-UHFFFAOYSA-M