CAS 123088-59-5 | Boronic acid, B-[4-(aminocarbonyl)phenyl]- | CAS Number 123088-59-5

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123088-59-5 | Boronic acid, B-[4-(aminocarbonyl)phenyl]-

CAS No: 123088-59-5 Catalog No: AG000K15 MDL No:MFCD03411940

Product Description

Catalog Number:

AG000K15

Chemical Name:

Boronic acid, B-[4-(aminocarbonyl)phenyl]-

CAS Number:

123088-59-5

Molecular Formula:

C7H8BNO3

Molecular Weight:

164.9543

MDL Number:

MFCD03411940

IUPAC Name:

(4-carbamoylphenyl)boronic acid

InChI:

InChI=1S/C7H8BNO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H2,9,10)

InChI Key:

GNRHNKBJNUVWFZ-UHFFFAOYSA-N

SMILES:

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

Properties

Complexity:

166

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.06g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

164.955g/mol

Monoisotopic Mass:

165.06g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Non inflammatory boronate based glucose-responsive insulin delivery systems.	PloS one 20120101
(4-Carbamoylphen-yl)boronic acid.	Acta crystallographica. Section E, Structure reports online 20100601
3-Methoxycarbonyl-5-nitrophenyl boronic acid: high affinity diol recognition at neutral pH.	Bioorganic & medicinal chemistry letters 20040105