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ScientificNameLabel
endo-Bornyl propanoate
PHCD compound ID : 903
Chemical Names :
endo-Bornyl propanoate
Molecular Formula : C13H22O2
Molecular Weight : 210.16198
More Details :
Names & Synonyms: (1,7,7-trimethylnorbornan-2-yl) propanoate , propanoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester , (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) propanoate , propionic acid 2-bornyl ester
Smiles: CCC(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C
InChi : InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3/t9-,10+,13+/m0/s1
InChi Key : InChIKey=FAFMZORPAAGQFV-OPQQBVKSSA-N
PubChem ID : 89306
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.249964
Hydrogen bond donor count : 0 Electric dipole moment : 2.000
XLogP : 3.727 VDW volume : 223.635336
Molecular weight : 210.16198 HOMO-LUMO gap : 11.527000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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