Benzoic acid, 2,4,6-trihydroxy-


Chemical Name: Benzoic acid, 2,4,6-trihydroxy-
CAS Number: 83-30-7
Product Number: AG003FN7(AGN-PC-0JL77G)
Synonyms:
MDL No:
Molecular Formula: C7H6O5
Molecular Weight: 170.1195

Identification/Properties


Properties
MP:
~210 °C (dec.)
BP:
426.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.7300 (estimate)
Computed Properties
Molecular Weight:
170.12g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
170.022g/mol
Monoisotopic Mass:
170.022g/mol
Topological Polar Surface Area:
98A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
169
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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