CAS 149104-90-5 | Boronic acid, B-(4-acetylphenyl)- | CAS Number 149104-90-5

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149104-90-5 | Boronic acid, B-(4-acetylphenyl)-

CAS No: 149104-90-5 Catalog No: AG001LE0 MDL No:MFCD01074667

Product Description

Catalog Number:

AG001LE0

Chemical Name:

Boronic acid, B-(4-acetylphenyl)-

CAS Number:

149104-90-5

Molecular Formula:

C8H9BO3

Molecular Weight:

163.9663

MDL Number:

MFCD01074667

IUPAC Name:

(4-acetylphenyl)boronic acid

InChI:

InChI=1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3

InChI Key:

OBQRODBYVNIZJU-UHFFFAOYSA-N

SMILES:

OB(c1ccc(cc1)C(=O)C)O

Properties

Complexity:

162

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.967g/mol

Monoisotopic Mass:

164.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Aryl boronic acid inhibition of synthetic melanin polymerization.	Bioorganic & medicinal chemistry letters 20100801
Direct oxidation of boronates by peroxynitrite: mechanism and implications in fluorescence imaging of peroxynitrite.	Free radical biology & medicine 20091115