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1,4-Cyclohexadiene-1,2-dicarboxylic anhydride
PHCD compound ID : 4760
Chemical Names :
1,4-Cyclohexadiene-1,2-dicarboxylic anhydride
Molecular Formula : C8H6O3
Molecular Weight : 150.031694
More Details :
Names & Synonyms: 4,7-dihydroisobenzofuran-1,3-dione , 4,7-dihydro-2-benzofuran-1,3-dione , 4,7-dihydroisobenzofuran-1,3-quinone
Smiles: O=C1OC(=O)C2=C1CC=CC2
InChi : InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2H,3-4H2
InChi Key : InChIKey=XCGJCRKHWHYKIE-UHFFFAOYSA-N
PubChem ID : 138348
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.197074
Hydrogen bond donor count : 0 Electric dipole moment : 5.141
XLogP : 0.667 VDW volume : 138.036264
Molecular weight : 150.031694 HOMO-LUMO gap : 8.661000
Herb list :
Refrences & Litretures:
  
755.      Journal:'Experimental Parasitology'      Year:'2012'      Volume:'132'      Page:'470'      DOI:'org/10.1016/j.exppara.2012.09.010'      Title:'Identification of chemical constituents and larvicidal activity of Kelussia odoratissima Mozaffarian essential oil against two mosquito vectors Anopheles stephensi and Culex pipiens (Diptera: Culicidae)'
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