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ScientificNameLabel
endo-2-Norborneol acetate
PHCD compound ID : 329
Chemical Names :
endo-2-Norborneol acetate
Molecular Formula : C9H14O2
Molecular Weight : 154.09938
More Details :
Names & Synonyms: [(2S)-norbornan-2-yl] acetate , acetic acid [(3S)-3-bicyclo[2.2.1]heptanyl] ester , [(3S)-3-bicyclo[2.2.1]heptanyl] acetate , [(3S)-3-bicyclo[2.2.1]heptanyl] ethanoate , acetic acid [(2S)-norbornan-2-yl] ester
Smiles: CC(=O)O[C@H]1C[C@H]2C[C@@H]1CC2
InChi : InChI=1S/C9H14O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3/t7-,8+,9+/m1/s1
InChi Key : InChIKey=YXNICIBZSREEPY-VGMNWLOBSA-N
PubChem ID : 6429332
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.658015
Hydrogen bond donor count : 0 Electric dipole moment : 2.047
XLogP : 1.965 VDW volume : 154.451398
Molecular weight : 154.09938 HOMO-LUMO gap : 11.858000
Herb list :
Refrences & Litretures:
  
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
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