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


Chemical Name: Benzoic acid, 3,4,5-trihydroxy-, ethyl ester
CAS Number: 831-61-8
Product Number: AG003QF4(AGN-PC-0D62TF)
Synonyms:
MDL No:
Molecular Formula: C9H10O5
Molecular Weight: 198.1727

Identification/Properties


Properties
MP:
149-153 °C
BP:
447.3 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4570 (estimate)
Computed Properties
Molecular Weight:
198.174g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
198.053g/mol
Monoisotopic Mass:
198.053g/mol
Topological Polar Surface Area:
87A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
193
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


NMR Spectrum


Other Analytical Data


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