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ethylbenzene
ScientificNameLabel
ethylbenzene
PHCD compound ID :
2109
Chemical Names :
ethylbenzene
Molecular Formula :
C8H10
Molecular Weight :
106.07825
More Details :
Names & Synonyms:
ethylbenzene
Smiles:
CCc1ccccc1
InChi :
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChi Key :
InChIKey=YNQLUTRBYVCPMQ-UHFFFAOYSA-N
PubChem ID :
7500
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
9.449173
Hydrogen bond donor count :
0
Electric dipole moment :
0.579
XLogP :
2.938
VDW volume :
115.758501
Molecular weight :
106.07825
HOMO-LUMO gap :
9.780000
Herb list :
Tamarind, Indian date - Tamarindus indica - تمرهندی
Refrences & Litretures:
251. Journal:'Journal of Essential Oil Research' Year:'2004' Volume:'16' Page:'318' DOI:'10.1080/10412905.2004.9698731' Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
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