Benzoic acid, 3,4,5-trihydroxy-, methyl ester


Chemical Name: Benzoic acid, 3,4,5-trihydroxy-, methyl ester
CAS Number: 99-24-1
Product Number: AG00358U(AGN-PC-0JK82Z)
Synonyms:
MDL No:
Molecular Formula: C8H8O5
Molecular Weight: 184.1461

Identification/Properties


Properties
MP:
201-204 °C
BP:
450.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5690 (estimate)
Solubility:
ethanol: 50 mg/mL, clear
Computed Properties
Molecular Weight:
184.147g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
184.037g/mol
Monoisotopic Mass:
184.037g/mol
Topological Polar Surface Area:
87A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
181
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:
H302-H315-H317-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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