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References: 992
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p-Tolyl alcohol
ScientificNameLabel
p-Tolyl alcohol
PHCD compound ID :
1629
Chemical Names :
p-Tolyl alcohol , p-methylbenzyl alcohol
Molecular Formula :
C8H10O1
Molecular Weight :
122.073165
More Details :
Names & Synonyms:
p-tolylmethanol , (4-methylphenyl)methanol
Smiles:
OCc1ccc(cc1)C
InChi :
InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChi Key :
InChIKey=KMTDMTZBNYGUNX-UHFFFAOYSA-N
PubChem ID :
11505
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.383213
Hydrogen bond donor count :
1
Electric dipole moment :
2.226
XLogP :
0.985
VDW volume :
124.548728
Molecular weight :
122.073165
HOMO-LUMO gap :
9.530000
Herb list :
Egyptian willow - Salix aegyptiaca - بيدمشك
Henna - Lawsonia inermis - حنا
Refrences & Litretures:
183. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'543' DOI:'10.1080/0972060X.2011.10643971' Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
290. Journal:'Journal of Essential Oil Research' Year:'1995' Volume:'7' Page:'425' DOI:'10.1080/10412905.1995.9698554' Title:'Volatile Components of Lawsonia inermis L. Flowers'
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