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ScientificNameLabel
3-Hepten-2-one
PHCD compound ID : 3935
Chemical Names :
3-Hepten-2-one
Molecular Formula : C7H12O1
Molecular Weight : 112.088815
More Details :
Names & Synonyms: (E)-hept-3-en-2-one , (E)-3-hepten-2-one
Smiles: CCC/C=C/C(=O)C
InChi : InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
InChi Key : InChIKey=JHHZQADGLDKIPM-AATRIKPKSA-N
PubChem ID : 5364578
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.056567
Hydrogen bond donor count : 0 Electric dipole moment : 3.301
XLogP : 2.031 VDW volume : 133.14566
Molecular weight : 112.088815 HOMO-LUMO gap : 10.044000
Herb list :
Refrences & Litretures:
  
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
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