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ScientificNameLabel
cis-2-Hexenal
PHCD compound ID : 1490
Chemical Names :
cis-2-Hexenal , (Z)-2-hexenal
Molecular Formula : C6H10O1
Molecular Weight : 98.073165
More Details :
Names & Synonyms: (Z)-hex-2-enal , (Z)-2-hexenal
Smiles: CCC/C=C\C=O
InChi : InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4-
InChi Key : InChIKey=MBDOYVRWFFCFHM-PLNGDYQASA-N
PubChem ID : 6428782
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.090649
Hydrogen bond donor count : 0 Electric dipole moment : 4.173
XLogP : 1.85 VDW volume : 115.849676
Molecular weight : 98.073165 HOMO-LUMO gap : 9.774000
Herb list :
Refrences & Litretures:
  
160.      Journal:'Natural Product Research'      Year:'2012'      Volume:'26'      Page:'802'      DOI:'10.1080/14786419.2011.558013'      Title:'Composition of essential oil and biological activity of extracts of Viola odorata L. from central Iran'
568.      Journal:'J. Essent. Oil Res'      Year:'2005'      Volume:'17'      Page:'312'      DOI:''      Title:'Essential Oils in the Leaves of Cocoa (Theobroma cacao L.) Clone UIT1 and NA33'
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