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ScientificNameLabel
Pantolactone
PHCD compound ID : 5240
Chemical Names :
Pantolactone
Molecular Formula : C6H10O3
Molecular Weight : 130.062994
More Details :
Names & Synonyms: (3R)-3-hydroxy-4,4-dimethyl-tetrahydrofuran-2-one , (3R)-3-hydroxy-4,4-dimethyl-2-oxolanone , (3R)-3-hydroxy-4,4-dimethyloxolan-2-one , (3R)-3-hydroxy-4,4-dimethyloxolan-2-one , (3R)-4,4-dimethyl-3-oxidanyl-oxolan-2-one
Smiles: O[C@H]1C(=O)OCC1(C)C
InChi : InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1
InChi Key : InChIKey=SERHXTVXHNVDKA-BYPYZUCNSA-N
PubChem ID : 439368
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.373581
Hydrogen bond donor count : 1 Electric dipole moment : 4.799
XLogP : 0.576 VDW volume : 123.710129
Molecular weight : 130.062994 HOMO-LUMO gap : 11.056000
Herb list :
Refrences & Litretures:
  
836.      Journal:'International Journal of ChemTech Research'      Year:'2010'      Volume:'2'      Page:'149'      DOI:''      Title:'Chemical Constituents of hydro alcoholic extract and Phenolic fraction of Cynodon dactylon'
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