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879084-84-1 | Phosphoric acid, dibutyl1-[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)oxy]ethyl ester
CAS No: 879084-84-1 Catalog No: AG004DZS MDL No:
Product Description
Catalog Number:
AG004DZS
Chemical Name:
Phosphoric acid, dibutyl1-[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)oxy]ethyl ester
CAS Number:
879084-84-1
Molecular Formula:
C15H30O8P2--
Molecular Weight:
400.3414
IUPAC Name:
[2-butyl-1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]hexyl] phosphate
InChI:
InChI=1S/C15H32O8P2/c1-5-7-9-13(10-8-6-2)14(22-24(16,17)18)23-25(19)20-11-15(3,4)12-21-25/h13-14H,5-12H2,1-4H3,(H2,16,17,18)/p-2
InChI Key:
LLYLMUXYAKVHJA-UHFFFAOYSA-L
SMILES:
CCCCC(C(OP1(=O)OCC(CO1)(C)C)OP(=O)([O-])[O-])CCCC
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.142g/mol
Formal Charge:
-2
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.345g/mol
Monoisotopic Mass:
400.142g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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