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Home > Indoles and Oxindole > 86552-92-3
86552-92-3 | Phosphonic acid,[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)hexyl]-, diethyl ester (9CI)
CAS No: 86552-92-3 Catalog No: AG004LV8 MDL No:
Product Description
Catalog Number:
AG004LV8
Chemical Name:
Phosphonic acid,[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)hexyl]-, diethyl ester (9CI)
CAS Number:
86552-92-3
Molecular Formula:
C18H26NO5P
Molecular Weight:
367.3765
IUPAC Name:
2-(6-diethoxyphosphorylhexyl)isoindole-1,3-dione
InChI:
InChI=1S/C18H26NO5P/c1-3-23-25(22,24-4-2)14-10-6-5-9-13-19-17(20)15-11-7-8-12-16(15)18(19)21/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
InChI Key:
CDLKNEPNIRRATK-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OCC)CCCCCCN1C(=O)c2c(C1=O)cccc2
NSC Number:
83533
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.155g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.382g/mol
Monoisotopic Mass:
367.155g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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