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1,2-Ethanediol,1-(2-furanyl)-
ScientificNameLabel
1,2-Ethanediol,1-(2-furanyl)-
PHCD compound ID :
584
Chemical Names :
1,2-Ethanediol,1-(2-furanyl)-
Molecular Formula :
C6H8O3
Molecular Weight :
128.047344
More Details :
Names & Synonyms:
1-(2-furyl)ethane-1,2-diol , 1-(2-furanyl)ethane-1,2-diol , 1-(furan-2-yl)ethane-1,2-diol
Smiles:
OC[C@@H](c1ccco1)O
InChi :
InChI=1S/C6H8O3/c7-4-5(8)6-2-1-3-9-6/h1-3,5,7-8H,4H2/t5-/m0/s1
InChi Key :
InChIKey=YOSOKWRRCVPEJS-YFKPBYRVSA-N
PubChem ID :
566112
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
9.735883
Hydrogen bond donor count :
2
Electric dipole moment :
2.702
XLogP :
-0.698
VDW volume :
110.17367
Molecular weight :
128.047344
HOMO-LUMO gap :
9.706000
Herb list :
Fig - Ficus carica - انجیر، شال انجیر
Refrences & Litretures:
34. Journal:'J Sci Food Agric' Year:'2014' Volume:'94' Page:'2179' DOI:'10.1002/jsfa.6533' Title:'Chemical composition and bioactivity of dried fruits and honey of Ficus carica cultivars Dottato, San Francesco and Citrullara'
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