(4-methoxycarbonylphenyl)boronic acid


Chemical Name: (4-methoxycarbonylphenyl)boronic acid
CAS Number: 99768-12-4
Product Number: AG00357D(AGN-PC-0KK6J3)
Synonyms:
MDL No: MFCD01632203
Molecular Formula: C8H9BO4
Molecular Weight: 179.9657

Identification/Properties


Properties
MP:
197-200 °C(lit.)
BP:
345.8 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Solubility:
Soluble in methanol.
Computed Properties
Molecular Weight:
179.966g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
180.059g/mol
Monoisotopic Mass:
180.059g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
175
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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