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1986-89-6 | Octane, 1-(octylsulfinyl)-
CAS No: 1986-89-6 Catalog No: AG002BNG MDL No:MFCD00039514
Product Description
Catalog Number:
AG002BNG
Chemical Name:
Octane, 1-(octylsulfinyl)-
CAS Number:
1986-89-6
Molecular Formula:
C16H34OS
Molecular Weight:
274.5056
MDL Number:
MFCD00039514
IUPAC Name:
1-octylsulfinyloctane
InChI:
InChI=1S/C16H34OS/c1-3-5-7-9-11-13-15-18(17)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChI Key:
VWCFQNQVNVMFGV-UHFFFAOYSA-N
SMILES:
CCCCCCCCS(=O)CCCCCCCC
EC Number:
217-861-5
UNII:
BL3KXH5FFW
NSC Number:
65460
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.233g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.507g/mol
Monoisotopic Mass:
274.233g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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