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Resorcinol
ScientificNameLabel
Resorcinol
PHCD compound ID :
4517
Chemical Names :
Resorcinol
Molecular Formula :
C6H6O2
Molecular Weight :
110.036779
More Details :
Names & Synonyms:
benzene-1,3-diol , resorcinol
Smiles:
Oc1cccc(c1)O
InChi :
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChi Key :
InChIKey=GHMLBKRAJCXXBS-UHFFFAOYSA-N
PubChem ID :
5054
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.207448
Hydrogen bond donor count :
2
Electric dipole moment :
1.262
XLogP :
0.654
VDW volume :
98.746985
Molecular weight :
110.036779
HOMO-LUMO gap :
9.223000
Herb list :
Lime - Citrus aurantifolia - لیمو عمانی، لیمو ترش
Refrences & Litretures:
672. Journal:'Molecules' Year:'2012' Volume:'17' Page:'11173' DOI:'10.3390/molecules170911173' Title:'Chemical Composition of Hexane Extract of Citrus aurantifolia and Anti-Mycobacterium tuberculosis Activity of Some of Its Constituents'
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