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13126-09-5 | Octane, 1-(ethylsulfinyl)-
CAS No: 13126-09-5 Catalog No: AG000VT4 MDL No:
Product Description
Catalog Number:
AG000VT4
Chemical Name:
Octane, 1-(ethylsulfinyl)-
CAS Number:
13126-09-5
Molecular Formula:
C10H22OS
Molecular Weight:
190.3461
IUPAC Name:
1-ethylsulfinyloctane
InChI:
InChI=1S/C10H22OS/c1-3-5-6-7-8-9-10-12(11)4-2/h3-10H2,1-2H3
InChI Key:
OBEZKSPNIWCNFE-UHFFFAOYSA-N
SMILES:
CCCCCCCCS(=O)CC
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.139g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.345g/mol
Monoisotopic Mass:
190.139g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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