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1164100-82-6 | Boronic acid, B-[6-(aminocarbonyl)-3-pyridinyl]-
CAS No: 1164100-82-6 Catalog No: AG000CEV MDL No:MFCD12964543
Product Description
Catalog Number:
AG000CEV
Chemical Name:
Boronic acid, B-[6-(aminocarbonyl)-3-pyridinyl]-
CAS Number:
1164100-82-6
Molecular Formula:
C6H7BN2O3
Molecular Weight:
165.9424
MDL Number:
MFCD12964543
IUPAC Name:
(6-carbamoylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C6H7BN2O3/c8-6(10)5-2-1-4(3-9-5)7(11)12/h1-3,11-12H,(H2,8,10)
InChI Key:
YDBJQMVPJJTDLN-UHFFFAOYSA-N
SMILES:
OB(c1ccc(nc1)C(=O)N)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
165.943g/mol
Monoisotopic Mass:
166.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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