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ScientificNameLabel
Rosefuran epoxide
PHCD compound ID : 1541
Chemical Names :
Rosefuran epoxide , rose furan epoxide
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: 2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methyl-furan , 2-[(3,3-dimethyl-2-oxiranyl)methyl]-3-methylfuran , 2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran
Smiles: Cc1ccoc1C[C@@H]1OC1(C)C
InChi : InChI=1S/C10H14O2/c1-7-4-5-11-8(7)6-9-10(2,3)12-9/h4-5,9H,6H2,1-3H3/t9-/m0/s1
InChi Key : InChIKey=BVTAIXWVSMPSFL-VIFPVBQESA-N
PubChem ID : 6428926
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.057091
Hydrogen bond donor count : 0 Electric dipole moment : 1.865
XLogP : 1.47 VDW volume : 158.210924
Molecular weight : 166.09938 HOMO-LUMO gap : 9.591000
Herb list :
Refrences & Litretures:
  
168.      Journal:'European Journal of Experimental Biology'      Year:'2012'      Volume:'2'      Page:'1771'      DOI:''      Title:'Essential oil content and composition of Lippa citriodora as affected by drying method before flowering stages'
170.      Journal:'J. Crop Prot'      Year:'2012'      Volume:'1'      Page:'313'      DOI:''      Title:'Chemical composition and insecticide activity of lemon verbena essential oil'
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