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ScientificNameLabel
Hept-2-enal
PHCD compound ID : 2277
Chemical Names :
Hept-2-enal
Molecular Formula : C7H12O1
Molecular Weight : 112.088815
More Details :
Names & Synonyms: hept-2-enal , 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-AATRIKPKSA-N
PubChem ID : 17167
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.113566
Hydrogen bond donor count : 0 Electric dipole moment : 4.219
XLogP : 2.419 VDW volume : 133.14566
Molecular weight : 112.088815 HOMO-LUMO gap : 9.803000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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