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Compound: 5546
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References: 992
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p-Methyl anisole
ScientificNameLabel
p-Methyl anisole
PHCD compound ID :
1494
Chemical Names :
para-methyl Anisole , p-Methyl anisole
Molecular Formula :
C8H10O1
Molecular Weight :
122.073165
More Details :
Names & Synonyms:
1-methoxy-4-methyl-benzene , 1-methoxy-4-methylbenzene
Smiles:
COc1ccc(cc1)C
InChi :
InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
InChi Key :
InChIKey=CHLICZRVGGXEOD-UHFFFAOYSA-N
PubChem ID :
7731
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
8.695636
Hydrogen bond donor count :
0
Electric dipole moment :
1.281
XLogP :
1.659
VDW volume :
124.548728
Molecular weight :
122.073165
HOMO-LUMO gap :
8.943000
Herb list :
Kundur luban, Salai - Boswellia serrata - لیبان، کندر
Violet - Viola odorata - بنفشه معطر، بنفشه
Refrences & Litretures:
161. Journal:'Archives of Applied Science Research' Year:'2011' Volume:'3' Page:'44' DOI:'' Title:'Biocontrol of Botrytis cinerea with essential oil and methanol extract of Viola odorata L. flowers'
667. Journal:'Flavour Fragr. J' Year:'2002' Volume:'17' Page:'462' DOI:'10.1002/ffj.1124' Title:'Volatile constituents of Boswellia serrata Roxb. (Burseraceae) bark'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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