Benzoic acid, 3-borono-, 1-ethyl ester


Chemical Name: Benzoic acid, 3-borono-, 1-ethyl ester
CAS Number: 4334-87-6
Product Number: AG003JDU(AGN-PC-0KR5Y6)
Synonyms:
MDL No:
Molecular Formula: C9H11BO4
Molecular Weight: 193.9922

Identification/Properties


Properties
MP:
131-136 °C
BP:
368.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
193.993g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
194.075g/mol
Monoisotopic Mass:
194.075g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
195
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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