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ScientificNameLabel
Corylone
PHCD compound ID : 4519
Chemical Names :
Corylone , Cyclotene
Molecular Formula : C6H8O2
Molecular Weight : 112.052429
More Details :
Names & Synonyms: 2-hydroxy-3-methyl-cyclopent-2-en-1-one , 2-hydroxy-3-methyl-1-cyclopent-2-enone , 2-hydroxy-3-methylcyclopent-2-en-1-one , 3-methyl-2-oxidanyl-cyclopent-2-en-1-one
Smiles: OC1=C(C)CCC1=O
InChi : InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3
InChi Key : InChIKey=CFAKWWQIUFSQFU-UHFFFAOYSA-N
PubChem ID : 6660
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.230641
Hydrogen bond donor count : 1 Electric dipole moment : 3.048
XLogP : 0.436 VDW volume : 112.283444
Molecular weight : 112.052429 HOMO-LUMO gap : 9.036000
Herb list :
Refrences & Litretures:
  
672.      Journal:'Molecules'      Year:'2012'      Volume:'17'      Page:'11173'      DOI:'10.3390/molecules170911173'      Title:'Chemical Composition of Hexane Extract of Citrus aurantifolia and Anti-Mycobacterium tuberculosis Activity of Some of Its Constituents'
772.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'964'      DOI:'10.1080/0972060X.2012.10662600'      Title:'Difference in Essential Oil Composition of Rhizome of Polygonum bistorta L. from Different Asian Regions and Evaluation of its Antibacterial Activity'
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