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ScientificNameLabel
2H-Pyran-3(4H)-one
PHCD compound ID : 3535
Chemical Names :
2H-Pyran-3(4H)-one
Molecular Formula : C5H6O2
Molecular Weight : 98.036779
More Details :
Names & Synonyms: 4H-pyran-3-one
Smiles: O=C1COC=CC1
InChi : InChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1,3H,2,4H2
InChi Key : InChIKey=MALOBWMOORWUQW-UHFFFAOYSA-N
PubChem ID : 11388294
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.537510
Hydrogen bond donor count : 0 Electric dipole moment : 2.323
XLogP : 0.065 VDW volume : 94.987459
Molecular weight : 98.036779 HOMO-LUMO gap : 9.956000
Herb list :
Refrences & Litretures:
  
493.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2008'      Volume:'11'      Page:'476'      DOI:'10.1080/0972060X.2008.10643656'      Title:'Composition and Antimicrobial Activity of the Essential Oils of Tanacetum balsamita L. subsp. balsamita and T. chiliophyllum (Fisch. et Mey.) Schultz Bip. var. chiliophyllum (Asteraceae) from Turkey'
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