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ScientificNameLabel
Petroselinic
PHCD compound ID : 3121
Chemical Names :
Petroselinic acid , Petroselinic
Molecular Formula : C18H34O2
Molecular Weight : 282.25588
More Details :
Names & Synonyms: (Z)-octadec-6-enoic acid , (Z)-6-octadecenoic acid , petroselinic acid
Smiles: CCCCCCCCCCC/C=C\CCCCC(=O)O
InChi : InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-
InChi Key : InChIKey=CNVZJPUDSLNTQU-SEYXRHQNSA-N
PubChem ID : 5281125
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.701622
Hydrogen bond donor count : 1 Electric dipole moment : 2.037
XLogP : 8.192 VDW volume : 332.191718
Molecular weight : 282.25588 HOMO-LUMO gap : 10.758000
Herb list :
Refrences & Litretures:
  
425.      Journal:'Industrial Crops and Produ'      Year:'2009'      Volume:'30'      Page:'372'      DOI:'10.1016/j.indcrop.2009.07.005'      Title:'Water deficit effects on caraway (Carum carvi L.) growth, essential oil and fatty acid composition'
738.      Journal:'Grasas y Aceites'      Year:'2007'      Volume:'58'      Page:'359'      DOI:''      Title:'Chemical composition of carrot seeds (Daucus carota L.) cultivated in Turkey: characterization of the seed oil and essential oil'
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