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Propanedioic acid,phenyl
PHCD compound ID : 5244
Chemical Names :
Propanedioic acid,phenyl
Molecular Formula : C9H8O4
Molecular Weight : 180.042259
More Details :
Names & Synonyms: 2-phenylpropanedioic acid , 2-phenylmalonic acid
Smiles: OC(=O)C(c1ccccc1)C(=O)O
InChi : InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
InChi Key : InChIKey=WWYDYZMNFQIYPT-UHFFFAOYSA-N
PubChem ID : 75791
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.004013
Hydrogen bond donor count : 2 Electric dipole moment : 2.265
XLogP : 1.172 VDW volume : 162.942475
Molecular weight : 180.042259 HOMO-LUMO gap : 9.716000
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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