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Home > Boronic Acids > 677777-45-6
677777-45-6 | (4-Cyano-3-methoxyphenyl);boronic acid
CAS No: 677777-45-6 Catalog No: AG006J8A MDL No:MFCD10696655
Product Description
Catalog Number:
AG006J8A
Chemical Name:
(4-Cyano-3-methoxyphenyl);boronic acid
CAS Number:
677777-45-6
Molecular Formula:
C8H8BNO3
Molecular Weight:
176.9650
MDL Number:
MFCD10696655
IUPAC Name:
(4-cyano-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C8H8BNO3/c1-13-8-4-7(9(11)12)3-2-6(8)5-10/h2-4,11-12H,1H3
InChI Key:
YWZHJSBHFAFASK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C#N)B(O)O
Properties
Complexity:
213
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:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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