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Home > Indoles and Oxindole > 729572-19-4
729572-19-4 | Phosphonic acid, nonyl-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethylethyl ester
CAS No: 729572-19-4 Catalog No: AG005D1A MDL No:
Product Description
Catalog Number:
AG005D1A
Chemical Name:
Phosphonic acid, nonyl-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethylethyl ester
CAS Number:
729572-19-4
Molecular Formula:
C21H31NO5P-
Molecular Weight:
408.4483
IUPAC Name:
4-(1,3-dioxoisoindol-2-yl)butan-2-yloxy-nonylphosphinate
InChI:
InChI=1S/C21H32NO5P/c1-3-4-5-6-7-8-11-16-28(25,26)27-17(2)14-15-22-20(23)18-12-9-10-13-19(18)21(22)24/h9-10,12-13,17H,3-8,11,14-16H2,1-2H3,(H,25,26)/p-1
InChI Key:
VYGHSUCTPRCAJB-UHFFFAOYSA-M
SMILES:
CCCCCCCCCP(=O)(OC(CCN1C(=O)c2c(C1=O)cccc2)C)[O-]
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.194g/mol
Formal Charge:
-1
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.455g/mol
Monoisotopic Mass:
408.194g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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