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Home > Boronic Acids > 269409-73-6
269409-73-6 | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CAS No: 269409-73-6 Catalog No: AG003J5Z MDL No:MFCD03411930
Product Description
Catalog Number:
AG003J5Z
Chemical Name:
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CAS Number:
269409-73-6
Molecular Formula:
C13H17BO4
Molecular Weight:
248.0827
MDL Number:
MFCD03411930
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H,15,16)
InChI Key:
OPWAPCOSDAFWFB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.085g/mol
Monoisotopic Mass:
248.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^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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