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63231-73-2

63231-73-2 | Di-sec-butyl sulfate

CAS No: 63231-73-2 Catalog No: AG003PR3 MDL No:

Product Description

Catalog Number:
AG003PR3
Chemical Name:
Di-sec-butyl sulfate
CAS Number:
63231-73-2
Molecular Formula:
C8H18O4S
Molecular Weight:
210.2911
IUPAC Name:
dibutan-2-yl sulfate
InChI:
InChI=1S/C8H18O4S/c1-5-7(3)11-13(9,10)12-8(4)6-2/h7-8H,5-6H2,1-4H3
InChI Key:
KYAMUOMYFJTMPP-UHFFFAOYSA-N
SMILES:
CCC(OS(=O)(=O)OC(CC)C)C

Properties

Complexity:
199  
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:
0
Isotope Atom Count:
0
Molecular Weight:
210.288g/mol
Monoisotopic Mass:
210.093g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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