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Compound: 5546
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References: 992
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2-Methylnaphthalene
ScientificNameLabel
2-Methylnaphthalene
PHCD compound ID :
2371
Chemical Names :
2-Methylnaphthalene
Molecular Formula :
C11H10
Molecular Weight :
142.07825
More Details :
Names & Synonyms:
2-methylnaphthalene
Smiles:
Cc1ccc2c(c1)cccc2
InChi :
InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
InChi Key :
InChIKey=QIMMUPPBPVKWKM-UHFFFAOYSA-N
PubChem ID :
7055
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
8.814903
Hydrogen bond donor count :
0
Electric dipole moment :
0.736
XLogP :
3.616
VDW volume :
139.117079
Molecular weight :
142.07825
HOMO-LUMO gap :
8.355000
Herb list :
Corn, Maize - Zea mays - ذرت، بلال
Real tobacco - Nicotiana rustica - توتون
Strawberry - Fragaria vesca - توت فرنگی
Refrences & Litretures:
262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'
339. Journal:'J. Agric. Food Chem' Year:'1978' Volume:'26' Page:'1290' DOI:'10.1021/jf60220a012' Title:'Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants'
870. Journal:'International Journal of Food Studies' Year:'2020' Volume:'9' Page:'146' DOI:'10.7455/ijfs/9.1.2020.a2' Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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