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ScientificNameLabel
Hexadecadienoic acid
PHCD compound ID : 3256
Chemical Names :
Hexadecadienoic acid
Molecular Formula : C16H28O2
Molecular Weight : 252.20893
More Details :
Names & Synonyms: hexadeca-2,4-dienoic acid
Smiles: CCCCCCCCCCC/C=C/C=C/C(=O)O
InChi : InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/b13-12+,15-14+
InChi Key : InChIKey=OOJGMLFHAQOYIL-SQIWNDBBSA-N
PubChem ID : 185666
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.778871
Hydrogen bond donor count : 1 Electric dipole moment : 3.368
XLogP : 7.015 VDW volume : 294.96329
Molecular weight : 252.20893 HOMO-LUMO gap : 8.995000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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