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Home > Boronic Acids > 947533-25-7
947533-25-7 | [3-(cyanomethoxy)phenyl]boronic acid
CAS No: 947533-25-7 Catalog No: AG00IIII MDL No:MFCD09908169
Product Description
Catalog Number:
AG00IIII
Chemical Name:
[3-(cyanomethoxy)phenyl]boronic acid
CAS Number:
947533-25-7
Molecular Formula:
C8H8BNO3
Molecular Weight:
176.9650
MDL Number:
MFCD09908169
IUPAC Name:
[3-(cyanomethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H8BNO3/c10-4-5-13-8-3-1-2-7(6-8)9(11)12/h1-3,6,11-12H,5H2
InChI Key:
QEXGRJBUDVWWSC-UHFFFAOYSA-N
SMILES:
N#CCOc1cccc(c1)B(O)O
Properties
Complexity:
201
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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