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ScientificNameLabel
trans-Chrys-anthemyl acetate
PHCD compound ID : 3871
Chemical Names :
trans-Chrys-anthemyl acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms:
Smiles: CC(=O)OC[C@@H]1[C@H](C1(C)C)C=C(C)C
InChi : InChI=1S/C12H20O2/c1-8(2)6-10-11(12(10,4)5)7-14-9(3)13/h6,10-11H,7H2,1-5H3/t10-,11-/m1/s1
InChi Key : InChIKey=OTWVMTYIYNDIOQ-GHMZBOCLSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.026980
Hydrogen bond donor count : 0 Electric dipole moment : 1.327
XLogP : 3.386 VDW volume : 216.059352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.310000
Herb list :
Refrences & Litretures:
  
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
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