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72214-01-8

72214-01-8 | Sulfuric acid,mono(2-ethylhexyl) ester

CAS No: 72214-01-8 Catalog No: AG005JFX MDL No:

Product Description

Catalog Number:
AG005JFX
Chemical Name:
Sulfuric acid,mono(2-ethylhexyl) ester
CAS Number:
72214-01-8
Molecular Formula:
C8H17O4S-
Molecular Weight:
209.2832
IUPAC Name:
2-ethylhexyl hydrogen sulfate
InChI:
InChI=1S/C8H18O4S/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)
InChI Key:
MHGOKSLTIUHUBF-UHFFFAOYSA-N
SMILES:
CCCCC(COS(=O)(=O)[O-])CC
EC Number:
615-733-7

Properties

Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.093g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.288g/mol
Monoisotopic Mass:
210.093g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
The effects of alkyl sulfates on the analysis of phenolic compounds by microchip capillary electrophoresis with pulsed amperometric detection. The Analyst 20071001

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