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ScientificNameLabel
hexadecenoic acid
PHCD compound ID : 2028
Chemical Names :
hexadecenoic acid
Molecular Formula : C16H30O2
Molecular Weight : 254.22458
More Details :
Names & Synonyms: (E)-hexadec-2-enoic acid , (E)-2-hexadecenoic acid
Smiles: CCCCCCCCCCCCC/C=C/C(=O)O
InChi : InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+
InChi Key : InChIKey=ZVRMGCSSSYZGSM-CCEZHUSRSA-N
PubChem ID : 5282743
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.659473
Hydrogen bond donor count : 1 Electric dipole moment : 2.552
XLogP : 7.459 VDW volume : 297.599749
Molecular weight : 254.22458 HOMO-LUMO gap : 10.421000
Herb list :
Refrences & Litretures:
  
239.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'11367'      DOI:'10.1021/jf202277w'      Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
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