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1,4-Benzenediol,2-methyl-
ScientificNameLabel
1,4-Benzenediol,2-methyl-
PHCD compound ID :
573
Chemical Names :
1,4-Benzenediol,2-methyl-
Molecular Formula :
C7H8O2
Molecular Weight :
124.052429
More Details :
Names & Synonyms:
2-methylbenzene-1,4-diol , 2-methylhydroquinone
Smiles:
Oc1ccc(c(c1)C)O
InChi :
InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3
InChi Key :
InChIKey=CNHDIAIOKMXOLK-UHFFFAOYSA-N
PubChem ID :
7253
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
8.623474
Hydrogen bond donor count :
2
Electric dipole moment :
0.786
XLogP :
0.835
VDW volume :
116.04297
Molecular weight :
124.052429
HOMO-LUMO gap :
8.550000
Herb list :
Fig - Ficus carica - انجیر، شال انجیر
Refrences & Litretures:
34. Journal:'J Sci Food Agric' Year:'2014' Volume:'94' Page:'2179' DOI:'10.1002/jsfa.6533' Title:'Chemical composition and bioactivity of dried fruits and honey of Ficus carica cultivars Dottato, San Francesco and Citrullara'
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