Free Chemical Databases
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[Synonyms]
Di(2-ethylhexyl) hydroxypropyl phosphate
LS-107713
Phosphoric acid, di(2-ethylhexyl) hydroxypropyl ester
1323-22-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 380.499601 [g/mol] Molecular Formula C19H41O5P XLogP 5.7 H-Bond Donor 1 H-Bond Acceptor 5 Rotatable Bond Count 18 Exact Mass 380.269161 MonoIsotopic Mass 380.269161 Topological Polar Surface Area 65 Heavy Atom Count 25 Formal Charge 0 Complexity 314 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: bis(2-ethylhexyl) 3-hydroxypropyl phosphate
Canonical SMILES: CCCCC(CC)COP(=O)(OCCCO)OCC(CC)CCCC
InChI: InChI=1/C19H41O5P/c1-5-9-12-18(7-3)16-23-25(21,
22-15-11-14-20)24-17-19(8-4)13-10-6-2/h18-20H,5-17H2,1-4H3
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