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Home > Boronic Acids > 913836-03-0
913836-03-0 | 5-Borononicotinic acid
CAS No: 913836-03-0 Catalog No: AG003MLH MDL No:MFCD02323212
Product Description
Catalog Number:
AG003MLH
Chemical Name:
5-Borononicotinic acid
CAS Number:
913836-03-0
Molecular Formula:
C6H6BNO4
Molecular Weight:
166.9271
MDL Number:
MFCD02323212
IUPAC Name:
5-boronopyridine-3-carboxylic acid
InChI:
InChI=1S/C6H6BNO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3,11-12H,(H,9,10)
InChI Key:
XKDATYTUCBKUQZ-UHFFFAOYSA-N
SMILES:
OB(c1cncc(c1)C(=O)O)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
166.927g/mol
Monoisotopic Mass:
167.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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