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ScientificNameLabel
Ethyl trans-4-decenoate
PHCD compound ID : 1570
Chemical Names :
Ethyl trans-4-decenoate
Molecular Formula : C12H22O2
Molecular Weight : 198.16198
More Details :
Names & Synonyms: ethyl (E)-dec-4-enoate , (E)-4-decenoic acid ethyl ester , (E)-dec-4-enoic acid ethyl ester
Smiles: CCCCC/C=C/CCC(=O)OCC
InChi : InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
InChi Key : InChIKey=AWNIQMQADACLCJ-CMDGGOBGSA-N
PubChem ID : 5362583
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.746605
Hydrogen bond donor count : 0 Electric dipole moment : 1.860
XLogP : 4.384 VDW volume : 228.41581
Molecular weight : 198.16198 HOMO-LUMO gap : 10.817000
Herb list :
Refrences & Litretures:
  
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
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