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86756-10-7 | Hexadecane, 1-[(methylthio)methoxy]-
CAS No: 86756-10-7 Catalog No: AG004SK5 MDL No:
Product Description
Catalog Number:
AG004SK5
Chemical Name:
Hexadecane, 1-[(methylthio)methoxy]-
CAS Number:
86756-10-7
Molecular Formula:
C18H38OS
Molecular Weight:
302.5587
IUPAC Name:
1-(methylsulfanylmethoxy)hexadecane
InChI:
InChI=1S/C18H38OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-20-2/h3-18H2,1-2H3
InChI Key:
PHSQSPJNMGGOIU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCSC
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.264g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.561g/mol
Monoisotopic Mass:
302.264g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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