CAS 166316-48-9 | Benzenepropanoic acid, 4-borono- | CAS Number 166316-48-9

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166316-48-9 | Benzenepropanoic acid, 4-borono-

CAS No: 166316-48-9 Catalog No: AG001WN1 MDL No:MFCD01318119

Product Description

Catalog Number:

AG001WN1

Chemical Name:

Benzenepropanoic acid, 4-borono-

CAS Number:

166316-48-9

Molecular Formula:

C9H11BO4

Molecular Weight:

193.9922

MDL Number:

MFCD01318119

IUPAC Name:

3-(4-boronophenyl)propanoic acid

InChI:

InChI=1S/C9H11BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5,13-14H,3,6H2,(H,11,12)

InChI Key:

VPSARXNVXCRDIV-UHFFFAOYSA-N

SMILES:

OC(=O)CCc1ccc(cc1)B(O)O

Properties

Complexity:

187

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.993g/mol

Monoisotopic Mass:

194.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Biological evaluation of dopamine analogues containing phenylboronic acid group as new boron carriers.	Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20111201
Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids.	Antiviral chemistry & chemotherapy 20100811