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ScientificNameLabel
(Z)-2-Heptanal
PHCD compound ID : 611
Chemical Names :
(Z)-2-Heptanal , (Z)-2-Heptenal
Molecular Formula : C7H12O1
Molecular Weight : 112.088815
More Details :
Names & Synonyms: (Z)-hept-2-enal , (Z)-2-heptenal
Smiles: CCCC/C=C\C=O
InChi : InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5-
InChi Key : InChIKey=NDFKTBCGKNOHPJ-WAYWQWQTSA-N
PubChem ID : 5362616
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.091868
Hydrogen bond donor count : 0 Electric dipole moment : 4.230
XLogP : 2.419 VDW volume : 133.14566
Molecular weight : 112.088815 HOMO-LUMO gap : 9.776000
Herb list :
Refrences & Litretures:
  
35.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'548'      DOI:'10.1016/j.foodchem.2010.04.064'      Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
727.      Journal:'J Sci Food Agric'      Year:'2008'      Volume:'88'      Page:'280'      DOI:'10.1002/jsfa'      Title:'Antioxidant and antimicrobial activities of essential oil and various oleoresins of Elettaria cardamomum (seeds and pods)'
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