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ScientificNameLabel
nonyl acetate
PHCD compound ID : 456
Chemical Names :
nonyl acetate
Molecular Formula : C11H22O2
Molecular Weight : 186.16198
More Details :
Names & Synonyms: nonyl acetate , acetic acid nonyl ester , nonyl ethanoate
Smiles: CCCCCCCCCOC(=O)C
InChi : InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
InChi Key : InChIKey=GJQIMXVRFNLMTB-UHFFFAOYSA-N
PubChem ID : 8918
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.821802
Hydrogen bond donor count : 0 Electric dipole moment : 2.213
XLogP : 4.436 VDW volume : 213.756284
Molecular weight : 186.16198 HOMO-LUMO gap : 11.965000
Herb list :
Refrences & Litretures:
  
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
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