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ScientificNameLabel
Alpha-phellandrene epoxide
PHCD compound ID : 5437
Chemical Names :
Alpha-phellandrene epoxide
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 4-isopropyl-1-methyl-7-oxabicyclo[4.1.0]hept-2-ene , 1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]hept-2-ene
Smiles: CC([C@H]1C=C[C@]2([C@@H](C1)O2)C)C
InChi : InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h4-5,7-9H,6H2,1-3H3/t8-,9+,10-/m0/s1
InChi Key : InChIKey=YYOYQZIEGSUHQG-AEJSXWLSSA-N
PubChem ID : 527087
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.835127
Hydrogen bond donor count : 0 Electric dipole moment : 2.458
XLogP : 2.547 VDW volume : 162.957156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.583000
Herb list :
Refrences & Litretures:
  
902.      Journal:'Rec. Nat. Prod'      Year:'2010'      Volume:'4'      Page:'167'      DOI:''      Title:'Chemical composition of Echinophora tenuifolia subsp. sibthorpiana essential oil from Greece'
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