2-Carboxyfuran-5-boronic acid, pinacol ester - CAS 1220188-40-8
Catalog: |
BB070592 |
Product Name: |
2-Carboxyfuran-5-boronic acid, pinacol ester |
CAS: |
1220188-40-8 |
Synonyms: |
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)FURAN-2-CARBOXYLIC ACID; 2-Carboxyfuran-5-boronic acid, pinacol ester; 2-CARBOXY-FURAN-5-BORONIC ACID, PINACOL ESTER |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylic acid |
Molecular Weight: | 238.05 |
Molecular Formula: | C11H15BO5 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(O2)C(=O)O |
InChI: | InChI=1S/C11H15BO5/c1-10(2)11(3,4)17-12(16-10)8-6-5-7(15-8)9(13)14/h5-6H,1-4H3,(H,13,14) |
InChI Key: | GQNVIDPLCCFIIN-UHFFFAOYSA-N |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.1012537 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.1012537 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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