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Home > Boronic Acids > 1256355-27-7
1256355-27-7 | Boronic acid, B-4-pyridinyl-, hydrate (1:1)
CAS No: 1256355-27-7 Catalog No: AG000O3H MDL No:MFCD08061353
Product Description
Catalog Number:
AG000O3H
Chemical Name:
Boronic acid, B-4-pyridinyl-, hydrate (1:1)
CAS Number:
1256355-27-7
Molecular Formula:
C5H8BNO3
Molecular Weight:
140.9329
MDL Number:
MFCD08061353
IUPAC Name:
pyridin-4-ylboronic acid;hydrate
InChI:
InChI=1S/C5H6BNO2.H2O/c8-6(9)5-1-3-7-4-2-5;/h1-4,8-9H;1H2
InChI Key:
WYRIWHXERKODLJ-UHFFFAOYSA-N
SMILES:
OB(c1ccncc1)O.O
Properties
Complexity:
83
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.06g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
140.933g/mol
Monoisotopic Mass:
141.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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