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ScientificNameLabel
Phthalic anhydride
PHCD compound ID : 5245
Chemical Names :
Phthalic anhydride
Molecular Formula : C8H4O3
Molecular Weight : 148.016044
More Details :
Names & Synonyms: isobenzofuran-1,3-dione , 2-benzofuran-1,3-dione , phthalic anhydride
Smiles: O=C1OC(=O)c2c1cccc2
InChi : InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
InChi Key : InChIKey=LGRFSURHDFAFJT-UHFFFAOYSA-N
PubChem ID : 6811
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 11.026479
Hydrogen bond donor count : 0 Electric dipole moment : 6.048
XLogP : 0.575 VDW volume : 124.499805
Molecular weight : 148.016044 HOMO-LUMO gap : 9.346000
Herb list :
Refrences & Litretures:
  
836.      Journal:'International Journal of ChemTech Research'      Year:'2010'      Volume:'2'      Page:'149'      DOI:''      Title:'Chemical Constituents of hydro alcoholic extract and Phenolic fraction of Cynodon dactylon'
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