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142055-57-0 | Phosphonic acid, (2-ethylhexyl)-, dihexyl ester (9CI)
CAS No: 142055-57-0 Catalog No: AG001HO2 MDL No:
Product Description
Catalog Number:
AG001HO2
Chemical Name:
Phosphonic acid, (2-ethylhexyl)-, dihexyl ester (9CI)
CAS Number:
142055-57-0
Molecular Formula:
C20H43O3P
Molecular Weight:
362.5274
IUPAC Name:
3-(dihexoxyphosphorylmethyl)heptane
InChI:
InChI=1S/C20H43O3P/c1-5-9-12-14-17-22-24(21,23-18-15-13-10-6-2)19-20(8-4)16-11-7-3/h20H,5-19H2,1-4H3
InChI Key:
DLICGVBYFCTMPY-UHFFFAOYSA-N
SMILES:
CCCCC(CP(=O)(OCCCCCC)OCCCCCC)CC
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.295g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.535g/mol
Monoisotopic Mass:
362.295g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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