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Home > Boronic Acids > 903899-12-7
903899-12-7 | 5-Cyano-1,2-dihydro-2-oxopyridine-3-boronic acid
CAS No: 903899-12-7 Catalog No: AG00IG4M MDL No:MFCD12964582
Product Description
Catalog Number:
AG00IG4M
Chemical Name:
5-Cyano-1,2-dihydro-2-oxopyridine-3-boronic acid
CAS Number:
903899-12-7
Molecular Formula:
C6H5BN2O3
Molecular Weight:
163.9265
MDL Number:
MFCD12964582
IUPAC Name:
(5-cyano-2-oxo-1H-pyridin-3-yl)boronic acid
InChI:
InChI=1S/C6H5BN2O3/c8-2-4-1-5(7(11)12)6(10)9-3-4/h1,3,11-12H,(H,9,10)
InChI Key:
XLTWXXALSLWYIW-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c(=O)c(c1)B(O)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
163.927g/mol
Monoisotopic Mass:
164.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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