CAS 99768-12-4 | Methyl 4-Boronobenzoate | CAS Number 99768-12-4

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99768-12-4 | Methyl 4-Boronobenzoate

CAS No: 99768-12-4 Catalog No: AG00357D MDL No:MFCD01632203

Product Description

Catalog Number:

AG00357D

Chemical Name:

Methyl 4-Boronobenzoate

CAS Number:

99768-12-4

Molecular Formula:

C8H9BO4

Molecular Weight:

179.9657

MDL Number:

MFCD01632203

IUPAC Name:

(4-methoxycarbonylphenyl)boronic acid

InChI:

InChI=1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3

InChI Key:

PQCXFUXRTRESBD-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(cc1)B(O)O

EC Number:

619-459-9

Properties

Complexity:

175

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.966g/mol

Monoisotopic Mass:

180.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Medicinal chemistry as a conduit for the modulation of quorum sensing.	Journal of medicinal chemistry 20101111
Dimethyl 4,4'-(pyridine-2,6-diyl)dibenzoate.	Acta crystallographica. Section E, Structure reports online 20101101
Boronic acid fluorophore/beta-cyclodextrin complex sensors for selective sugar recognition in water.	Analytical chemistry 20010401