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ScientificNameLabel
bergamal
PHCD compound ID : 3014
Chemical Names :
bergamal
Molecular Formula : C9H16O1
Molecular Weight : 140.120115
More Details :
Names & Synonyms: 2,6-dimethylhept-5-enal , 2,6-dimethyl-5-heptenal
Smiles: O=C[C@H](CCC=C(C)C)C
InChi : InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3/t9-/m0/s1
InChi Key : InChIKey=YGFGZTXGYTUXBA-VIFPVBQESA-N
PubChem ID : 61016
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.410878
Hydrogen bond donor count : 0 Electric dipole moment : 3.464
XLogP : 2.807 VDW volume : 167.73763
Molecular weight : 140.120115 HOMO-LUMO gap : 10.185000
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'
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
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