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ScientificNameLabel
3-bornanone
PHCD compound ID : 2938
Chemical Names :
3-bornanone
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 4,7,7-trimethylnorbornan-2-one , 4,7,7-trimethyl-2-bicyclo[2.2.1]heptanone , 4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Smiles: O=C1C[C@]2(C([C@@H]1CC2)(C)C)C
InChi : InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)6-8(7)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChi Key : InChIKey=HFQTYOGWDNGZMS-XCBNKYQSSA-N
PubChem ID : 25132
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.798470
Hydrogen bond donor count : 0 Electric dipole moment : 3.668
XLogP : 2.532 VDW volume : 162.957156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.848000
Herb list :
Refrences & Litretures:
  
371.      Journal:'Pharmaceutical Crops'      Year:'2011'      Volume:'2'      Page:'28'      DOI:''      Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
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