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Home > Boronic Acids > 1217500-70-3
1217500-70-3 | Boronic acid, B-[5-(dihydroxymethyl)-2-pyridinyl]-
CAS No: 1217500-70-3 Catalog No: AG0015R2 MDL No:MFCD16618930
Product Description
Catalog Number:
AG0015R2
Chemical Name:
Boronic acid, B-[5-(dihydroxymethyl)-2-pyridinyl]-
CAS Number:
1217500-70-3
Molecular Formula:
C6H8BNO4
Molecular Weight:
168.9430
MDL Number:
MFCD16618930
IUPAC Name:
(5-formylpyridin-2-yl)boronic acid;hydrate
InChI:
InChI=1S/C6H6BNO3.H2O/c9-4-5-1-2-6(7(10)11)8-3-5;/h1-4,10-11H;1H2
InChI Key:
BCLDLQBSWPNBNM-UHFFFAOYSA-N
SMILES:
OC(c1ccc(nc1)B(O)O)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
168.943g/mol
Monoisotopic Mass:
169.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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