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100528-78-7 | Undecanoic acid, 11-(methylthio)-, methyl ester
CAS No: 100528-78-7 Catalog No: AG0002A0 MDL No:
Product Description
Catalog Number:
AG0002A0
Chemical Name:
Undecanoic acid, 11-(methylthio)-, methyl ester
CAS Number:
100528-78-7
Molecular Formula:
C13H26O2S
Molecular Weight:
246.4093
IUPAC Name:
methyl 11-methylsulfanylundecanoate
InChI:
InChI=1S/C13H26O2S/c1-15-13(14)11-9-7-5-3-4-6-8-10-12-16-2/h3-12H2,1-2H3
InChI Key:
HVVVGQFPKNQYGE-UHFFFAOYSA-N
SMILES:
CSCCCCCCCCCCC(=O)OC
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.165g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.409g/mol
Monoisotopic Mass:
246.165g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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