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84796-03-2 | 1-Pentanesulfonic acid, propyl ester
CAS No: 84796-03-2 Catalog No: AG004RGI MDL No:
Product Description
Catalog Number:
AG004RGI
Chemical Name:
1-Pentanesulfonic acid, propyl ester
CAS Number:
84796-03-2
Molecular Formula:
C8H18O3S
Molecular Weight:
194.2917
IUPAC Name:
propyl pentane-1-sulfonate
InChI:
InChI=1S/C8H18O3S/c1-3-5-6-8-12(9,10)11-7-4-2/h3-8H2,1-2H3
InChI Key:
CTKGGUGLATVYJF-UHFFFAOYSA-N
SMILES:
CCCCCS(=O)(=O)OCCC
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.098g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.289g/mol
Monoisotopic Mass:
194.098g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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