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123335-26-2 | Undecanoic acid, 11-[(dipropoxyphosphinothioyl)thio]-
CAS No: 123335-26-2 Catalog No: AG000KE7 MDL No:
Product Description
Catalog Number:
AG000KE7
Chemical Name:
Undecanoic acid, 11-[(dipropoxyphosphinothioyl)thio]-
CAS Number:
123335-26-2
Molecular Formula:
C17H35O4PS2
Molecular Weight:
398.5612
IUPAC Name:
11-dipropoxyphosphinothioylsulfanylundecanoic acid
InChI:
InChI=1S/C17H35O4PS2/c1-3-14-20-22(23,21-15-4-2)24-16-12-10-8-6-5-7-9-11-13-17(18)19/h3-16H2,1-2H3,(H,18,19)
InChI Key:
FVMRHMBZEUZIRU-UHFFFAOYSA-N
SMILES:
CCCOP(=S)(SCCCCCCCCCCC(=O)O)OCCC
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.171g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.557g/mol
Monoisotopic Mass:
398.171g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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