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Home > Indoles and Oxindole > 856832-79-6
856832-79-6 | 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-methoxypropyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 856832-79-6 Catalog No: AG01A66K MDL No:MFCD25371729
Product Description
Catalog Number:
AG01A66K
Chemical Name:
2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-methoxypropyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
856832-79-6
Molecular Formula:
C20H16N2O5
Molecular Weight:
364.3514
MDL Number:
MFCD25371729
IUPAC Name:
2-[3-(1,3-dioxoisoindol-2-yl)-2-methoxypropyl]isoindole-1,3-dione
InChI:
InChI=1S/C20H16N2O5/c1-27-12(10-21-17(23)13-6-2-3-7-14(13)18(21)24)11-22-19(25)15-8-4-5-9-16(15)20(22)26/h2-9,12H,10-11H2,1H3
InChI Key:
IYMISCOFLMOZIN-UHFFFAOYSA-N
SMILES:
COC(CN1C(=O)c2c(C1=O)cccc2)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.106g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.357g/mol
Monoisotopic Mass:
364.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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