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ScientificNameLabel
Hex-2-enoic acid
PHCD compound ID : 2227
Chemical Names :
Hex-2-enoic acid
Molecular Formula : C6H9O2
Molecular Weight : 114.06808
More Details :
Names & Synonyms: hex-2-enoic acid , 2-hexenoic acid
Smiles: CCC/C=C\C(=O)O
InChi : InChI=1S/C6H9O2/c1-2-3-4-5-6(7)8/h4H,2-3H2,1H3,(H,7,8)
InChi Key : InChIKey=PWIJIKUWDHONSR-UHFFFAOYSA-N
PubChem ID : 101048329
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.879727
Hydrogen bond donor count : 1 Electric dipole moment : 2.787
XLogP : 1.769 VDW volume : 124.639902
Molecular weight : 114.06808 HOMO-LUMO gap : 10.069000
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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