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Home > Boronic Acids > 465515-31-5
465515-31-5 | 5-Carboxythiophene-2-boronic acid
CAS No: 465515-31-5 Catalog No: AG00377Y MDL No:MFCD02323211
Product Description
Catalog Number:
AG00377Y
Chemical Name:
5-Carboxythiophene-2-boronic acid
CAS Number:
465515-31-5
Molecular Formula:
C5H5BO4S
Molecular Weight:
171.9668
MDL Number:
MFCD02323211
IUPAC Name:
5-boronothiophene-2-carboxylic acid
InChI:
InChI=1S/C5H5BO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,9-10H,(H,7,8)
InChI Key:
OQGIKNPOYTVNNF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(s1)C(=O)O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
171.961g/mol
Monoisotopic Mass:
172g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. | Journal of medicinal chemistry 20091008 |
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