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ScientificNameLabel
Phthalate
PHCD compound ID : 5191
Chemical Names :
Phthalate
Molecular Formula : C8H4O4
Molecular Weight : 164.010959
More Details :
Names & Synonyms: phthalate
Smiles: [O-]C(=O)c1ccccc1C(=O)[O-]
InChi : InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2
InChi Key : InChIKey=XNGIFLGASWRNHJ-UHFFFAOYSA-L
PubChem ID : 181977
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 1.430159
Hydrogen bond donor count : 0 Electric dipole moment : 11.222
XLogP : -0.658 VDW volume : 143.010032
Molecular weight : 164.010959 HOMO-LUMO gap : 8.599000
Herb list :
Refrences & Litretures:
  
821.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2018'      Volume:'21'      Page:'164'      DOI:'10.1080/0972060X.2018.1451394'      Title:'Evaluation of the Wound Healing Activity of Chenopodium botrys Leaves Essential Oil in Rats (A Short-Term Study)'
822.      Journal:'International Journal of Pharmacognosy and Phytochemical Research'      Year:'2016'      Volume:'8'      Page:'1881'      DOI:''      Title:'Chemical Composition and Antibacterial Properties of Chenopodium botrys L. Essential Oil'
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