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Chemical structure of 1,2,4-Benzenetriol

GC61898

1,2,4-Benzenetriol

Also listed as 1,2,4-Trihydroxybenzene

1,2,4-Trihydroxybenzene (Hydroxyhydroquinone), a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes

ChemicalCAS533-73-3MW126.11FormulaC6H6O3
CAS number
533-73-3
Molecular weight
126.11
Formula
C6H6O3
Solubility
DMSO ： 50 mg/mL (396·48 mM; Need ultrasonic)
InChIKey
GGNQRNBDZQJCCN-UHFFFAOYSA-N
Catalogue number
GC61898
Brand
GLPBIO
Computed properties PubChem CID 10787 · XLogP 1.5 · TPSA 60.7 Ų · H-bond donors 3
XLogP
1.5
TPSA
60.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

SMILES C1=CC(=C(C=C1O)O)O

Computed descriptors from PubChem (CID 10787), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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