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2314-79-6 | 2,5-Pyrrolidinedione, 1-(4-methylphenyl)-
CAS No: 2314-79-6 Catalog No: AG002MC6 MDL No:MFCD00158657
Product Description
Catalog Number:
AG002MC6
Chemical Name:
2,5-Pyrrolidinedione, 1-(4-methylphenyl)-
CAS Number:
2314-79-6
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00158657
IUPAC Name:
1-(4-methylphenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3
InChI Key:
IDSFKFXFMNGXCK-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1ccc(cc1)C
UNII:
S56FSC7B26
NSC Number:
28986
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore. | Bioorganic & medicinal chemistry letters 20100301 |
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