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Home > Indoles and Oxindole > 76491-94-6
76491-94-6 | 2H-Isoindole-2-acetamide, N-(4-acetylphenyl)-1,3-dihydro-1,3-dioxo-
CAS No: 76491-94-6 Catalog No: AG005KYY MDL No:
Product Description
Catalog Number:
AG005KYY
Chemical Name:
2H-Isoindole-2-acetamide, N-(4-acetylphenyl)-1,3-dihydro-1,3-dioxo-
CAS Number:
76491-94-6
Molecular Formula:
C18H14N2O4
Molecular Weight:
322.3148
IUPAC Name:
N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
InChI:
InChI=1S/C18H14N2O4/c1-11(21)12-6-8-13(9-7-12)19-16(22)10-20-17(23)14-4-2-3-5-15(14)18(20)24/h2-9H,10H2,1H3,(H,19,22)
InChI Key:
DFHCOSGWZQHATL-UHFFFAOYSA-N
SMILES:
O=C(CN1C(=O)c2c(C1=O)cccc2)Nc1ccc(cc1)C(=O)C
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.32g/mol
Monoisotopic Mass:
322.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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