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ScientificNameLabel
6-Methyl-2,4-heptadienoic acid ethylester
PHCD compound ID : 383
Chemical Names :
6-Methyl-2,4-heptadienoic acid ethylester
Molecular Formula : C10H16O2
Molecular Weight : 168.11503
More Details :
Names & Synonyms: ethyl (2E,4E)-6-methylhepta-2,4-dienoate , (2E,4E)-6-methylhepta-2,4-dienoic acid ethyl ester
Smiles: CCOC(=O)/C=C/C=C/C(C)C
InChi : InChI=1S/C10H16O2/c1-4-12-10(11)8-6-5-7-9(2)3/h5-9H,4H2,1-3H3/b7-5+,8-6+
InChi Key : InChIKey=SFUYOPHWNDIHFL-KQQUZDAGSA-N
PubChem ID : 5369086
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.649034
Hydrogen bond donor count : 0 Electric dipole moment : 2.418
XLogP : 3.142 VDW volume : 191.187382
Molecular weight : 168.11503 HOMO-LUMO gap : 9.050000
Herb list :
Refrences & Litretures:
  
22.      Journal:'Z Lebensm Unters Forsch A'      Year:'1999'      Volume:'208'      Page:'212'      DOI:''      Title:'Effect of extraction techniques on the chemical composition and antioxidant activity of Eucalyptus camaldulensis var. brevirostris leaf oils'
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