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Home > Indoles and Oxindole > 86791-02-8
86791-02-8 | diethyl[4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butyl]phosphonate
CAS No: 86791-02-8 Catalog No: AG004RSU MDL No:
Product Description
Catalog Number:
AG004RSU
Chemical Name:
diethyl[4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butyl]phosphonate
CAS Number:
86791-02-8
Molecular Formula:
C16H22NO5P
Molecular Weight:
339.3233
IUPAC Name:
2-(4-diethoxyphosphorylbutyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H22NO5P/c1-3-21-23(20,22-4-2)12-8-7-11-17-15(18)13-9-5-6-10-14(13)16(17)19/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3
InChI Key:
YHISZJLAIIWOJR-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OCC)CCCCN1C(=O)c2c(C1=O)cccc2
NSC Number:
83531
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.124g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.328g/mol
Monoisotopic Mass:
339.124g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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