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Home > Boronic Acids > 1256355-25-5
1256355-25-5 | Boronic acid, B-(2-methoxy-3-pyridinyl)-, hydrate (1:1)
CAS No: 1256355-25-5 Catalog No: AG000O3J MDL No:MFCD06659055
Product Description
Catalog Number:
AG000O3J
Chemical Name:
Boronic acid, B-(2-methoxy-3-pyridinyl)-, hydrate (1:1)
CAS Number:
1256355-25-5
Molecular Formula:
C6H10BNO4
Molecular Weight:
170.9589
MDL Number:
MFCD06659055
IUPAC Name:
(2-methoxypyridin-3-yl)boronic acid;hydrate
InChI:
InChI=1S/C6H8BNO3.H2O/c1-11-6-5(7(9)10)3-2-4-8-6;/h2-4,9-10H,1H3;1H2
InChI Key:
DHHSGONJRVICQW-UHFFFAOYSA-N
SMILES:
COc1ncccc1B(O)O.O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
170.959g/mol
Monoisotopic Mass:
171.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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