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ScientificNameLabel
Nojigiku acetate
PHCD compound ID : 3323
Chemical Names :
Nojigiku acetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: [(1S,2R,4S)-5,5-dimethyl-6-methylene-norbornan-2-yl] acetate , acetic acid [(1S,4S,5R)-2,2-dimethyl-3-methylene-5-bicyclo[2.2.1]heptanyl] ester , [(1S,4S,5R)-2,2-dimethyl-3-methylidene-5-bicyclo[2.2.1]heptanyl] acetate , [(1S,4S,5R)-2,2-dimethyl-3-methylidene-5-bicyclo[2.2.1]heptanyl] ethanoate , acetic acid [(1S,2R,4S)-5,5-dimethyl-6-methylene-norbornan-2-yl] ester
Smiles: CC(=O)O[C@@H]1C[C@@H]2C[C@H]1C(=C)C2(C)C
InChi : InChI=1S/C12H18O2/c1-7-10-5-9(12(7,3)4)6-11(10)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10-,11+/m0/s1
InChi Key : InChIKey=GVZSSHYAFJPRJY-GARJFASQSA-N
PubChem ID : 13969119
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.900082
Hydrogen bond donor count : 0 Electric dipole moment : 2.071
XLogP : 2.468 VDW volume : 203.702893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.930000
Herb list :
Refrences & Litretures:
  
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
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