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ScientificNameLabel
Dihydrocoumarin
PHCD compound ID : 3553
Chemical Names :
Dihydrocoumarin
Molecular Formula : C9H8O2
Molecular Weight : 148.052429
More Details :
Names & Synonyms: chroman-2-one , 3,4-dihydro-2H-1-benzopyran-2-one , 3,4-dihydrochromen-2-one
Smiles: O=C1CCc2c(O1)cccc2
InChi : InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChi Key : InChIKey=VMUXSMXIQBNMGZ-UHFFFAOYSA-N
PubChem ID : 660
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.461436
Hydrogen bond donor count : 0 Electric dipole moment : 4.097
XLogP : 0.768 VDW volume : 135.642022
Molecular weight : 148.052429 HOMO-LUMO gap : 9.274000
Herb list :
Refrences & Litretures:
  
499.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'585'      DOI:''      Title:'GC/MS STUDY OF THE CHLOROFORM FRACTION OF Melilotus officinalis'
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