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Home > Indoles and Oxindole > 120818-68-0
120818-68-0 | Phosphonic acid,[10-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)decyl]-, diethyl ester (9CI)
CAS No: 120818-68-0 Catalog No: AG007PKX MDL No:MFCD09263513
Product Description
Catalog Number:
AG007PKX
Chemical Name:
Phosphonic acid,[10-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)decyl]-, diethyl ester (9CI)
CAS Number:
120818-68-0
Molecular Formula:
C22H34NO5P
Molecular Weight:
423.4828
MDL Number:
MFCD09263513
IUPAC Name:
2-(10-diethoxyphosphoryldecyl)isoindole-1,3-dione
InChI:
InChI=1S/C22H34NO5P/c1-3-27-29(26,28-4-2)18-14-10-8-6-5-7-9-13-17-23-21(24)19-15-11-12-16-20(19)22(23)25/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
InChI Key:
UDUVJKUVPKDOEI-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OCC)CCCCCCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.217g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.49g/mol
Monoisotopic Mass:
423.217g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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