1,2,4-Benzenetriol, triacetate


Chemical Name: 1,2,4-Benzenetriol, triacetate
CAS Number: 613-03-6
Product Number: AG003DB3(AGN-PC-0ODCDK)
Synonyms:
MDL No:
Molecular Formula: C12H12O6
Molecular Weight: 252.2201

Identification/Properties


Properties
MP:
98-100 °C
BP:
357°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.5080 (estimate)
Computed Properties
Molecular Weight:
252.222g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
252.063g/mol
Monoisotopic Mass:
252.063g/mol
Topological Polar Surface Area:
78.9A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
338
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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