1,2,4-Benzenetriol


Chemical Name: 1,2,4-Benzenetriol
CAS Number: 533-73-3
Product Number: AG003DBA(AGN-PC-04RIMQ)
Synonyms:
MDL No:
Molecular Formula: C6H6O3
Molecular Weight: 126.1100

Identification/Properties


Properties
MP:
140 °C (subl.)(lit.)
BP:
194.21°C (rough estimate)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Air Sensitive
Refractive Index:
1.5627 (estimate)
Computed Properties
Molecular Weight:
126.111g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
126.032g/mol
Monoisotopic Mass:
126.032g/mol
Topological Polar Surface Area:
60.7A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
94.3
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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