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ScientificNameLabel
2-ethyl-3-methylmaleimide
PHCD compound ID : 2190
Chemical Names :
2-ethyl-3-methylmaleimide
Molecular Formula : C7H9N1O2
Molecular Weight : 139.063329
More Details :
Names & Synonyms: 3-ethyl-4-methyl-pyrrole-2,5-dione , 3-ethyl-4-methylpyrrole-2,5-dione , 3-ethyl-4-methyl-3-pyrroline-2,5-quinone
Smiles: CCC1=C(C)C(=O)NC1=O
InChi : InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3H2,1-2H3,(H,8,9,10)
InChi Key : InChIKey=CUBICSJJYOPOIA-UHFFFAOYSA-N
PubChem ID : 29995
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.570837
Hydrogen bond donor count : 1 Electric dipole moment : 2.993
XLogP : 0.15 VDW volume : 137.93973
Molecular weight : 139.063329 HOMO-LUMO gap : 9.352000
Herb list :
Refrences & Litretures:
  
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
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