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ScientificNameLabel
Isogeranial
PHCD compound ID : 1112
Chemical Names :
Isogeranial
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (3E)-3,7-dimethylocta-3,6-dienal
Smiles: O=CC/C(=C/CC=C(C)C)/C
InChi : InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,8H,4,7H2,1-3H3/b10-6+
InChi Key : InChIKey=OJLMARCQPSGYNE-UXBLZVDNSA-N
PubChem ID : 6428928
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.384656
Hydrogen bond donor count : 0 Electric dipole moment : 3.719
XLogP : 3.007 VDW volume : 182.397156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.145000
Herb list :
Refrences & Litretures:
  
114.      Journal:'J. Mater. Environ. Sci'      Year:'2015'      Volume:'6'      Page:'207'      DOI:''      Title:'Chemical composition of the essential oils from leaves of Melissa officinalis extracted by hydrodistillation, steam distillation, organic solvent and microwave hydrodistillation'
670.      Journal:'Journal of Essential Oil Research'      Year:'2014'      Volume:'26'      Page:'400'      DOI:'10.1080/10412905.2014.964428'      Title:'Antimicrobial activity and chemical composition of Citrus aurantifolia (Christm.) Swingle essential oil from Italian organic crops'
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