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Home > Boronic Acids > 947533-23-5
947533-23-5 | 4-Cyanomethoxyphenylboronic acid
CAS No: 947533-23-5 Catalog No: AG00IIIH MDL No:MFCD09908170
Product Description
Catalog Number:
AG00IIIH
Chemical Name:
4-Cyanomethoxyphenylboronic acid
CAS Number:
947533-23-5
Molecular Formula:
C8H8BNO3
Molecular Weight:
176.9650
MDL Number:
MFCD09908170
IUPAC Name:
[4-(cyanomethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H8BNO3/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,11-12H,6H2
InChI Key:
GKJPNYHKHSLHCC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OCC#N)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.966g/mol
Monoisotopic Mass:
177.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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