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Home > Boronic Acids > 1186422-58-1
1186422-58-1 | 4-Acetyl-2-cyanophenylboronic acid
CAS No: 1186422-58-1 Catalog No: AG00HEOM MDL No:
Product Description
Catalog Number:
AG00HEOM
Chemical Name:
4-Acetyl-2-cyanophenylboronic acid
CAS Number:
1186422-58-1
IUPAC Name:
(4-acetyl-2-cyanophenyl)boronic acid
InChI:
InChI=1S/C9H8BNO3/c1-6(12)7-2-3-9(10(13)14)8(4-7)5-11/h2-4,13-14H,1H3
InChI Key:
CCEFBBZHJXRTEM-UHFFFAOYSA-N
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.977g/mol
Monoisotopic Mass:
189.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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