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Home > Boronic Acids > 1033745-21-9
1033745-21-9 | (5-Acetylpyridin-3-yl)boronic acid
CAS No: 1033745-21-9 Catalog No: AG009476 MDL No:MFCD10696658
Product Description
Catalog Number:
AG009476
Chemical Name:
(5-Acetylpyridin-3-yl)boronic acid
CAS Number:
1033745-21-9
Molecular Formula:
C7H8BNO3
Molecular Weight:
164.9543
MDL Number:
MFCD10696658
IUPAC Name:
(5-acetylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C7H8BNO3/c1-5(10)6-2-7(8(11)12)4-9-3-6/h2-4,11-12H,1H3
InChI Key:
MJFGIOXMWMNLOK-UHFFFAOYSA-N
SMILES:
OB(c1cncc(c1)C(=O)C)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.06g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.955g/mol
Monoisotopic Mass:
165.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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