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Home > Indoles and Oxindole > 88423-13-6
88423-13-6 | 1H-Isoindole-1,3(2H)-dione, 2-[[3-(benzoyloxy)-2-pyridinyl]methyl]-
CAS No: 88423-13-6 Catalog No: AG004KG3 MDL No:
Product Description
Catalog Number:
AG004KG3
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[3-(benzoyloxy)-2-pyridinyl]methyl]-
CAS Number:
88423-13-6
Molecular Formula:
C21H14N2O4
Molecular Weight:
358.3469
IUPAC Name:
[2-[(1,3-dioxoisoindol-2-yl)methyl]pyridin-3-yl] benzoate
InChI:
InChI=1S/C21H14N2O4/c24-19-15-9-4-5-10-16(15)20(25)23(19)13-17-18(11-6-12-22-17)27-21(26)14-7-2-1-3-8-14/h1-12H,13H2
InChI Key:
FDNAWWDHKCRJFR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1cccnc1CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.095g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.353g/mol
Monoisotopic Mass:
358.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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