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16156-52-8 | Methanesulfonic acid, octyl ester
CAS No: 16156-52-8 Catalog No: AG001VPK MDL No:
Product Description
Catalog Number:
AG001VPK
Chemical Name:
Methanesulfonic acid, octyl ester
CAS Number:
16156-52-8
Molecular Formula:
C9H20O3S
Molecular Weight:
208.3183
IUPAC Name:
octyl methanesulfonate
InChI:
InChI=1S/C9H20O3S/c1-3-4-5-6-7-8-9-12-13(2,10)11/h3-9H2,1-2H3
InChI Key:
GRJPLADOIKKOGS-UHFFFAOYSA-N
SMILES:
CCCCCCCCOS(=O)(=O)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.113g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.316g/mol
Monoisotopic Mass:
208.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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