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101791-26-8 | Undecanoic acid, 11-(hexylsulfinyl)-
CAS No: 101791-26-8 Catalog No: AG0005KL MDL No:
Product Description
Catalog Number:
AG0005KL
Chemical Name:
Undecanoic acid, 11-(hexylsulfinyl)-
CAS Number:
101791-26-8
Molecular Formula:
C17H34O3S
Molecular Weight:
318.5151
IUPAC Name:
11-hexylsulfinylundecanoic acid
InChI:
InChI=1S/C17H34O3S/c1-2-3-4-12-15-21(20)16-13-10-8-6-5-7-9-11-14-17(18)19/h2-16H2,1H3,(H,18,19)
InChI Key:
SXVVPXGKWCOHAF-UHFFFAOYSA-N
SMILES:
CCCCCCS(=O)CCCCCCCCCCC(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.223g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.516g/mol
Monoisotopic Mass:
318.223g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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