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ScientificNameLabel
Tetrahydro-[4H]-pyran-4-one
PHCD compound ID : 5411
Chemical Names :
Tetrahydro-[4H]-pyran-4-one
Molecular Formula : C5H8O2
Molecular Weight : 100.052429
More Details :
Names & Synonyms: tetrahydropyran-4-one , 4-oxanone , oxan-4-one
Smiles: O=C1CCOCC1
InChi : InChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H2
InChi Key : InChIKey=JMJRYTGVHCAYCT-UHFFFAOYSA-N
PubChem ID : 121599
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.212158
Hydrogen bond donor count : 0 Electric dipole moment : 1.781
XLogP : -0.555 VDW volume : 97.623918
Molecular weight : 100.052429 HOMO-LUMO gap : 10.912000
Herb list :
Refrences & Litretures:
  
895.      Journal:'Pharmaceutical Biology'      Year:'2003'      Volume:'41'      Page:'399'      DOI:'10.1076/phbi.41.6.399.17826'      Title:'Volatile Compounds in Crude Salvadora persica Extracts'
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