Benzoic acid, 3,4,5-trihydroxy-, hydrate


Chemical Name: Benzoic acid, 3,4,5-trihydroxy-, hydrate
CAS Number: 5995-86-8
Product Number: AG003QQ1(AGN-PC-04Q054)
Synonyms:
MDL No:
Molecular Formula: C7H8O6
Molecular Weight: 188.1348

Identification/Properties


Properties
MP:
252 °C (dec.)(lit.)
BP:
596.6 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Hygroscopic
Solubility:
It is soluble in alcohol, ether, glycerol, acetone negligible in benzene, chloroform, petroleum ether.
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


NMR Spectrum


Other Analytical Data


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