5-Amino-2-(hydroxymethyl)benzeneboronic acid


Chemical Name: 5-Amino-2-(hydroxymethyl)benzeneboronic acid
CAS Number: 850568-79-5
Product Number: AG004YHY(AGN-PC-01LR65)
Synonyms:
MDL No:
Molecular Formula: C12H16BNO4
Molecular Weight: 249.0707

Identification/Properties


Properties
MP:
134-138 °C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
249.073g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
249.117g/mol
Monoisotopic Mass:
249.117g/mol
Topological Polar Surface Area:
67.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
318
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:
H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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