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Compound: 5546
Plants: 312
References: 992
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Benzen ethanol
ScientificNameLabel
Benzen ethanol
PHCD compound ID :
5512
Chemical Names :
Benzen ethanol
Molecular Formula :
C8H12O1
Molecular Weight :
78.04695
More Details :
Names & Synonyms:
benzene;ethanol
Smiles:
c1ccccc1.CCO
InChi :
InChI=1S/C6H6.C2H6O/c1-2-4-6-5-3-1;1-2-3/h1-6H;3H,2H2,1H3
InChi Key :
InChIKey=WVHBHPATSLQXGC-UHFFFAOYSA-N
PubChem ID :
21965192
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
9.896622
Hydrogen bond donor count :
0
Electric dipole moment :
2.087
XLogP :
2.082
VDW volume :
81.166532
Molecular weight :
78.04695
HOMO-LUMO gap :
10.055000
Herb list :
Globe thistle - Echinops robustus - شکرتیغال غول آسا
Refrences & Litretures:
923. Journal:'Letters in Applied NanoBioScience' Year:'2020' Volume:'9' Page:'849' DOI:'10.33263/LIANBS91.849852' Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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