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beta-methoxy-2-furanethanol
ScientificNameLabel
beta-methoxy-2-furanethanol
PHCD compound ID :
4610
Chemical Names :
beta-methoxy-2-furanethanol
Molecular Formula :
C7H10O3
Molecular Weight :
142.062994
More Details :
Names & Synonyms:
(2S)-2-(2-furyl)-2-methoxy-ethanol , (2S)-2-(2-furanyl)-2-methoxyethanol , (2S)-2-(furan-2-yl)-2-methoxyethanol , (2S)-2-(furan-2-yl)-2-methoxy-ethanol
Smiles:
CO[C@H](c1ccco1)CO
InChi :
InChI=1S/C7H10O3/c1-9-7(5-8)6-3-2-4-10-6/h2-4,7-8H,5H2,1H3/t7-/m0/s1
InChi Key :
InChIKey=ZSUDTOAGJRYYSL-ZETCQYMHSA-N
PubChem ID :
91704804
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
9.493605
Hydrogen bond donor count :
1
Electric dipole moment :
2.435
XLogP :
-0.179
VDW volume :
127.469655
Molecular weight :
142.062994
HOMO-LUMO gap :
9.699000
Herb list :
Dog rose, Briar rose, Hip-rose - Rosa canina - نسترن وحشی، گل سگ
Refrences & Litretures:
715. Journal:'Z Naturforsch C' Year:'2005' Volume:'60' Page:'369' DOI:'' Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
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