3-Pyridinecarboxylicacid, 5-borono-, 3-methyl ester


Chemical Name: 3-Pyridinecarboxylicacid, 5-borono-, 3-methyl ester
CAS Number: 871329-53-2
Product Number: AG004OTD(AGN-PC-0VB2LC)
Synonyms:
MDL No:
Molecular Formula: C7H8BNO4
Molecular Weight: 180.9537

Identification/Properties


Properties
MP:
102-108 °C
BP:
377.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
180.954g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
181.055g/mol
Monoisotopic Mass:
181.055g/mol
Topological Polar Surface Area:
79.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
187
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:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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