Benzoic acid, 2-amino-3-hydroxy-, methyl ester


Chemical Name: Benzoic acid, 2-amino-3-hydroxy-, methyl ester
CAS Number: 17672-21-8
Product Number: AG0024V7(AGN-PC-0JN0HG)
Synonyms:
MDL No:
Molecular Formula: C8H9NO3
Molecular Weight: 167.1620

Identification/Properties


Properties
MP:
97-99℃
BP:
309.6°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Refractive Index:
1.5570 (estimate)
Computed Properties
Molecular Weight:
167.164g/mol
XLogP3:
1.5
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


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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