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87199-18-6

87199-18-6 | 3-Hydroxybenzeneboronic Acid

CAS No: 87199-18-6 Catalog No: AG0033Q2 MDL No:MFCD01074603

Product Description

Catalog Number:
AG0033Q2
Chemical Name:
3-Hydroxybenzeneboronic Acid
CAS Number:
87199-18-6
Molecular Formula:
C6H7BO3
Molecular Weight:
137.9290
MDL Number:
MFCD01074603
IUPAC Name:
(3-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H7BO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8-10H
InChI Key:
WFWQWTPAPNEOFE-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)B(O)O

Properties

Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.049g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
137.929g/mol
Monoisotopic Mass:
138.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Electrochemically synthesized polymers in molecular imprinting for chemical sensing. Analytical and bioanalytical chemistry 20120401
Synthesis of boroxine-linked aluminum complexes. Inorganic chemistry 20110307
Computer-aided lead optimization: improved small-molecule inhibitor of the zinc endopeptidase of botulinum neurotoxin serotype A. PloS one 20070101
An unbiased cell morphology-based screen for new, biologically active small molecules. PLoS biology 20050501

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