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ScientificNameLabel
E-Myroxide
PHCD compound ID : 3125
Chemical Names :
E-Myroxide
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 2,2-dimethyl-3-[(2E)-3-methylpenta-2,4-dienyl]oxirane
Smiles: C=C/C(=C/C[C@@H]1OC1(C)C)/C
InChi : InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3/b8-6+/t9-/m0/s1
InChi Key : InChIKey=LIMXJCIGROLRED-ORZBULNSSA-N
PubChem ID : 6538431
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.397560
Hydrogen bond donor count : 0 Electric dipole moment : 1.914
XLogP : 2.794 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 9.870000
Herb list :
Refrences & Litretures:
  
426.      Journal:'Jordan Journal of Biological Sciences'      Year:'2015'      Volume:'8'      Page:'139'      DOI:''      Title:'The Chemical Composition and the Antibacterial Properties of Ruta graveolens L. Essential Oil Grown in Northern Jordan'
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