3-Pyridinecarboxylicacid, 5-borono- (9CI)


Chemical Name: 3-Pyridinecarboxylicacid, 5-borono- (9CI)
CAS Number: 913836-03-0
Product Number: AG003MLH(AGN-PC-0KWHD2)
Synonyms:
MDL No: MFCD02323212
Molecular Formula: C6H6BNO4
Molecular Weight: 166.9271

Identification/Properties


Properties
MP:
226-230°C
BP:
486.3°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
166.927g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
167.039g/mol
Monoisotopic Mass:
167.039g/mol
Topological Polar Surface Area:
90.6A^2
Heavy Atom Count:
12
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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