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ScientificNameLabel
3-nonen-2-one
PHCD compound ID : 3016
Chemical Names :
3-nonen-2-one
Molecular Formula : C9H16O1
Molecular Weight : 140.120115
More Details :
Names & Synonyms: non-3-en-2-one , 3-nonen-2-one
Smiles: CCCCC/C=C/C(=O)C
InChi : InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+
InChi Key : InChIKey=HDKLIZDXVUCLHQ-BQYQJAHWSA-N
PubChem ID : 26630
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.079813
Hydrogen bond donor count : 0 Electric dipole moment : 4.165
XLogP : 3.169 VDW volume : 167.73763
Molecular weight : 140.120115 HOMO-LUMO gap : 10.024000
Herb list :
Refrences & Litretures:
  
383.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'186'      DOI:'10.1080/10412905.2004'      Title:'Chemical Composition of the Essential Oil of Zingiber officinale Roscoe L. from Cuba'
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