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123335-29-5 | Undecanoic acid, 11-[[bis(2-methylpropoxy)phosphinothioyl]thio]-
CAS No: 123335-29-5 Catalog No: AG000KE6 MDL No:
Product Description
Catalog Number:
AG000KE6
Chemical Name:
Undecanoic acid, 11-[[bis(2-methylpropoxy)phosphinothioyl]thio]-
CAS Number:
123335-29-5
Molecular Formula:
C19H39O4PS2
Molecular Weight:
426.6143
IUPAC Name:
11-[bis(2-methylpropoxy)phosphinothioylsulfanyl]undecanoic acid
InChI:
InChI=1S/C19H39O4PS2/c1-17(2)15-22-24(25,23-16-18(3)4)26-14-12-10-8-6-5-7-9-11-13-19(20)21/h17-18H,5-16H2,1-4H3,(H,20,21)
InChI Key:
ROHQVVNVGDOTBB-UHFFFAOYSA-N
SMILES:
CC(COP(=S)(OCC(C)C)SCCCCCCCCCCC(=O)O)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.203g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.611g/mol
Monoisotopic Mass:
426.203g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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