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ScientificNameLabel
1-Octen-3-one
PHCD compound ID : 3272
Chemical Names :
Oct-l-en-3-one , 1-Octen-3-one
Molecular Formula : C8H14O1
Molecular Weight : 126.104465
More Details :
Names & Synonyms: oct-1-en-3-one , 1-octen-3-one
Smiles: CCCCCC(=O)C=C
InChi : InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
InChi Key : InChIKey=KLTVSWGXIAYTHO-UHFFFAOYSA-N
PubChem ID : 61346
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.093300
Hydrogen bond donor count : 0 Electric dipole moment : 3.099
XLogP : 2.434 VDW volume : 150.441645
Molecular weight : 126.104465 HOMO-LUMO gap : 10.310000
Herb list :
Refrences & Litretures:
  
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
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