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125769-14-4 | Undecanoic acid, 11-[[11-[(4-methylphenyl)sulfinyl]undecyl]thio]-
CAS No: 125769-14-4 Catalog No: AG000OP5 MDL No:
Product Description
Catalog Number:
AG000OP5
Chemical Name:
Undecanoic acid, 11-[[11-[(4-methylphenyl)sulfinyl]undecyl]thio]-
CAS Number:
125769-14-4
Molecular Formula:
C29H50O3S2
Molecular Weight:
510.8355
IUPAC Name:
11-[11-(4-methylphenyl)sulfinylundecylsulfanyl]undecanoic acid
InChI:
InChI=1S/C29H50O3S2/c1-27-20-22-28(23-21-27)34(32)26-18-14-10-6-2-4-8-12-16-24-33-25-17-13-9-5-3-7-11-15-19-29(30)31/h20-23H,2-19,24-26H2,1H3,(H,30,31)
InChI Key:
JPRSKXSSDYCXIH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCSCCCCCCCCCCCS(=O)c1ccc(cc1)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.32g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
510.836g/mol
Monoisotopic Mass:
510.32g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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