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ScientificNameLabel
2-Octenoic acid
PHCD compound ID : 2230
Chemical Names :
Oct-2-enoic acid , 2-Octenoic acid
Molecular Formula : C8H14O2
Molecular Weight : 142.09938
More Details :
Names & Synonyms: oct-2-enoic acid , 2-octenoic acid
Smiles: CCCCC/C=C/C(=O)O
InChi : InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+
InChi Key : InChIKey=CWMPPVPFLSZGCY-VOTSOKGWSA-N
PubChem ID : 73850
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.719021
Hydrogen bond donor count : 1 Electric dipole moment : 2.705
XLogP : 2.907 VDW volume : 159.231872
Molecular weight : 142.09938 HOMO-LUMO gap : 10.458000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
535.      Journal:'Journal of Food Composition and Analysis'      Year:'2010'      Volume:'23'      Page:'706'      DOI:'10.1016/j.jfca.2010.02.008'      Title:'Phenolic, alpha-tocopherol, beta-carotene and fatty acid composition of four promising jujube (Ziziphus jujuba Miller) selections'
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