Benzoic acid, 2,4,6-trihydroxy-, monohydrate


Chemical Name: Benzoic acid, 2,4,6-trihydroxy-, monohydrate
CAS Number: 71989-93-0
Product Number: AG003FN8(AGN-PC-0KK00B)
Synonyms:
MDL No:
Molecular Formula: C7H8O6
Molecular Weight: 188.1348

Identification/Properties


Properties
MP:
~205 °C
BP:
426.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
188.135g/mol
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
188.032g/mol
Monoisotopic Mass:
188.032g/mol
Topological Polar Surface Area:
99A^2
Heavy Atom Count:
13
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:
2
Compound Is Canonicalized:
Yes

Safety Information


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

NMR Spectrum


Other Analytical Data


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