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4-Hydroxydihydro-2(3H)-furanone
ScientificNameLabel
4-Hydroxydihydro-2(3H)-furanone
PHCD compound ID :
2194
Chemical Names :
dihydro-4-hydroxy-2(3H)-furanone , 4-Hydroxydihydro-2(3H)-furanone
Molecular Formula :
C4H6O3
Molecular Weight :
102.031694
More Details :
Names & Synonyms:
4-hydroxytetrahydrofuran-2-one , 4-hydroxy-2-oxolanone , 4-hydroxyoxolan-2-one , 4-oxidanyloxolan-2-one
Smiles:
O[C@H]1CC(=O)OC1
InChi :
InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2/t3-/m0/s1
InChi Key :
InChIKey=FUDDLSHBRSNCBV-VKHMYHEASA-N
PubChem ID :
95652
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
10.875676
Hydrogen bond donor count :
1
Electric dipole moment :
4.847
XLogP :
-0.811
VDW volume :
89.11816
Molecular weight :
102.031694
HOMO-LUMO gap :
11.806000
Herb list :
Saffron, Crocus - Crocus sativus - زعفران
white mulberry - Morus alba - توت سفید، توت هراتی
Refrences & Litretures:
257. Journal:'J. Agric. Food Chem' Year:'2012' Volume:'60' Page:'9097' DOI:'10.1021/jf301800x' Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
377. Journal:'Pharmaceutical Biology' Year:'2011' Volume:'49' Page:'756' DOI:'10.3109/13880209.2010.547206' Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
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