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Nona-2,3-dienoic acid,ethyl ester
PHCD compound ID : 5423
Chemical Names :
Nona-2,3-dienoic acid,ethyl ester
Molecular Formula : C11H18O2
Molecular Weight : 182.13068
More Details :
Names & Synonyms:
Smiles: CCCCCC=C=CC(=O)OCC
InChi : InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h8,10H,3-7H2,1-2H3/t9-/m0/s1
InChi Key : InChIKey=RSGLOEHCQDOWGS-VIFPVBQESA-N
PubChem ID : 533672
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 10.116406
Hydrogen bond donor count : 0 Electric dipole moment : 1.827
XLogP : 5.469 VDW volume : 208.483367
Molecular weight : 182.13068 HOMO-LUMO gap : 10.103000
Herb list :
Refrences & Litretures:
  
897.      Journal:'Journal of Medicinal Plants and By-products'      Year:'2016'      Volume:'2'      Page:'159'      DOI:''      Title:'Essential Oils of Salvia hydrangea DC. ex Benth. from Kiasar-Hezarjarib regions, Iran-Impact of eEnvironmental Factors as Quality Determinants'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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