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83518-62-1 | 1-Propanol, 3-(hexadecylthio)-2-methoxy-
CAS No: 83518-62-1 Catalog No: AG004V26 MDL No:
Product Description
Catalog Number:
AG004V26
Chemical Name:
1-Propanol, 3-(hexadecylthio)-2-methoxy-
CAS Number:
83518-62-1
Molecular Formula:
C20H42O2S
Molecular Weight:
346.6113
IUPAC Name:
3-hexadecylsulfanyl-2-methoxypropan-1-ol
InChI:
InChI=1S/C20H42O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(18-21)22-2/h20-21H,3-19H2,1-2H3
InChI Key:
MYQGHXAXDPWMQX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCSCC(OC)CO
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.291g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.614g/mol
Monoisotopic Mass:
346.291g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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