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Home > Boronic Acids > 1072946-05-4
1072946-05-4 | 3-Boronoisonicotinic acid
CAS No: 1072946-05-4 Catalog No: AG003IZ5 MDL No:MFCD10696649
Product Description
Catalog Number:
AG003IZ5
Chemical Name:
3-Boronoisonicotinic acid
CAS Number:
1072946-05-4
Molecular Formula:
C6H6BNO4
Molecular Weight:
166.9271
MDL Number:
MFCD10696649
IUPAC Name:
3-boronopyridine-4-carboxylic acid
InChI:
InChI=1S/C6H6BNO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3,11-12H,(H,9,10)
InChI Key:
NHHWTGRSSOPFSI-UHFFFAOYSA-N
SMILES:
OB(c1cnccc1C(=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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