(3-(hydroxymethyl)-4-methylphenyl)boronic acid


Chemical Name: (3-(hydroxymethyl)-4-methylphenyl)boronic acid
CAS Number: 1451391-54-0
Product Number: AG001KLX(AGN-PC-0WAJAF)
Synonyms:
MDL No:
Molecular Formula: C8H11BO3
Molecular Weight: 165.9821

Identification/Properties


Computed Properties
Molecular Weight:
165.983g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
166.08g/mol
Monoisotopic Mass:
166.08g/mol
Topological Polar Surface Area:
60.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
140
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:
H302-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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