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ScientificNameLabel
Gamma-Valerolactone
PHCD compound ID : 1580
Chemical Names :
Gamma-Valerolactone
Molecular Formula : C5H8O2
Molecular Weight : 100.052429
More Details :
Names & Synonyms: 5-methyltetrahydrofuran-2-one , 5-methyl-2-oxolanone , 5-methyloxolan-2-one
Smiles: C[C@H]1CCC(=O)O1
InChi : InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m0/s1
InChi Key : InChIKey=GAEKPEKOJKCEMS-BYPYZUCNSA-N
PubChem ID : 7921
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.724470
Hydrogen bond donor count : 0 Electric dipole moment : 4.883
XLogP : 0.679 VDW volume : 97.623918
Molecular weight : 100.052429 HOMO-LUMO gap : 11.862000
Herb list :
Refrences & Litretures:
  
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
974.      Journal:'European Food Research and Technology'      Year:'2018'      Volume:'244'      Page:'1169'      DOI:'10.1007/s00217-018-3034-3'      Title:'Chromatographic fingerprint, antioxidant activity, and colour characteristic of polish goldenrod (Solidago virgaurea L.) honey and lower'
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