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3,4-Dehydro-beta-ionone
PHCD compound ID : 1577
Chemical Names :
3,4-Dehydro-beta-ionone
Molecular Formula : C13H18O1
Molecular Weight : 190.135765
More Details :
Names & Synonyms: (E)-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-one , (E)-4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)-3-buten-2-one
Smiles: CC(=O)/C=C/C1=C(C)C=CCC1(C)C
InChi : InChI=1S/C13H18O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8H,9H2,1-4H3/b8-7+
InChi Key : InChIKey=UWWCASOGCPOGJP-BQYQJAHWSA-N
PubChem ID : 5352711
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.865632
Hydrogen bond donor count : 0 Electric dipole moment : 3.187
XLogP : 3.536 VDW volume : 219.292192
Molecular weight : 190.135765 HOMO-LUMO gap : 8.635000
Herb list :
Refrences & Litretures:
  
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
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