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Home > Indoles and Oxindole > 729572-16-1
729572-16-1 | Phosphonic acid, butyl-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethylethyl ester
CAS No: 729572-16-1 Catalog No: AG005D1B MDL No:
Product Description
Catalog Number:
AG005D1B
Chemical Name:
Phosphonic acid, butyl-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethylethyl ester
CAS Number:
729572-16-1
Molecular Formula:
C16H21NO5P-
Molecular Weight:
338.3154
IUPAC Name:
butyl-[4-(1,3-dioxoisoindol-2-yl)butan-2-yloxy]phosphinate
InChI:
InChI=1S/C16H22NO5P/c1-3-4-11-23(20,21)22-12(2)9-10-17-15(18)13-7-5-6-8-14(13)16(17)19/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,21)/p-1
InChI Key:
OFISDTLJDIVENS-UHFFFAOYSA-M
SMILES:
CCCCP(=O)(OC(CCN1C(=O)c2c(C1=O)cccc2)C)[O-]
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.116g/mol
Formal Charge:
-1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.32g/mol
Monoisotopic Mass:
338.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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