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Home > Indoles and Oxindole > 1909-25-7
1909-25-7 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(4-methylphenyl)-2-oxoethyl]-
CAS No: 1909-25-7 Catalog No: AG002EWA MDL No:
Product Description
Catalog Number:
AG002EWA
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(4-methylphenyl)-2-oxoethyl]-
CAS Number:
1909-25-7
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
IUPAC Name:
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)15(19)10-18-16(20)13-4-2-3-5-14(13)17(18)21/h2-9H,10H2,1H3
InChI Key:
MWKJMOAIQHMKGZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| A clickable inhibitor reveals context-dependent autoactivation of p90 RSK. | Nature chemical biology 20070301 |
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