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ScientificNameLabel
Octadienoic acid
PHCD compound ID : 846
Chemical Names :
Octadienoic acid
Molecular Formula : C8H12O2
Molecular Weight : 140.08373
More Details :
Names & Synonyms: octa-2,4-dienoic acid
Smiles: CCC/C=C/C=C/C(=O)O
InChi : InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h4-7H,2-3H2,1H3,(H,9,10)/b5-4+,7-6+
InChi Key : InChIKey=QZGIOJSVUOCUMC-YTXTXJHMSA-N
PubChem ID : 158529
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.780187
Hydrogen bond donor count : 1 Electric dipole moment : 3.294
XLogP : 2.463 VDW volume : 156.595413
Molecular weight : 140.08373 HOMO-LUMO gap : 8.994000
Herb list :
Refrences & Litretures:
  
65.      Journal:'Middle-East J. Sci. Res'      Year:'2014'      Volume:'21'      Page:'1670'      DOI:''      Title:'Chemical Composition, Antioxidant and Antitumor Activity of Thymus vulgaris L. Essential Oil'
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