Benzoic acid, 3-amino-5-hydroxy-, methyl ester


Chemical Name: Benzoic acid, 3-amino-5-hydroxy-, methyl ester
CAS Number: 67973-80-2
Product Number: AG003RRA(AGN-PC-0NIYQJ)
Synonyms:
MDL No: MFCD09263220
Molecular Formula: C8H9NO3
Molecular Weight: 167.1620

Identification/Properties


Properties
MP:
124.5 °C
BP:
376.446 °C at 760 mmHg
Storage:
Light sensitive;Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
167.164g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
167.058g/mol
Monoisotopic Mass:
167.058g/mol
Topological Polar Surface Area:
72.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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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