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114119-38-9 | Octanoic acid, 8-(nonylthio)-, methyl ester
CAS No: 114119-38-9 Catalog No: AG000AM5 MDL No:
Product Description
Catalog Number:
AG000AM5
Chemical Name:
Octanoic acid, 8-(nonylthio)-, methyl ester
CAS Number:
114119-38-9
Molecular Formula:
C18H36O2S
Molecular Weight:
316.5422
IUPAC Name:
methyl 8-nonylsulfanyloctanoate
InChI:
InChI=1S/C18H36O2S/c1-3-4-5-6-7-10-13-16-21-17-14-11-8-9-12-15-18(19)20-2/h3-17H2,1-2H3
InChI Key:
KOIAEPKOELHGSL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCSCCCCCCCC(=O)OC
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.244g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.544g/mol
Monoisotopic Mass:
316.244g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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