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ScientificNameLabel
Methyl(4Z)-decenoate
PHCD compound ID : 2825
Chemical Names :
Methyl(4Z)-decenoate
Molecular Formula : C11H20O2
Molecular Weight : 184.14633
More Details :
Names & Synonyms: methyl (Z)-dec-4-enoate , (Z)-4-decenoic acid methyl ester , (Z)-dec-4-enoic acid methyl ester
Smiles: CCCCC/C=C\CCC(=O)OC
InChi : InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
InChi Key : InChIKey=CRHITZQXHNFRAZ-FPLPWBNLSA-N
PubChem ID : 5352371
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.871221
Hydrogen bond donor count : 0 Electric dipole moment : 1.399
XLogP : 3.961 VDW volume : 211.119826
Molecular weight : 184.14633 HOMO-LUMO gap : 10.797000
Herb list :
Refrences & Litretures:
  
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
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