2-(2-Carboxyethyl)phenylboronic acid, pinacol ester - CAS 797756-39-9
Catalog: |
BB070583 |
Product Name: |
2-(2-Carboxyethyl)phenylboronic acid, pinacol ester |
CAS: |
797756-39-9 |
Synonyms: |
3-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid; 2-(2-Carboxyethyl)phenylboronic acid, pinacol ester; 3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoic acid; 2-(2-Carboxyethyl)phenylboronic acid pinacol ester; 2-(2-Carboxyethyl)phenylboronic acid,pinacol ester |
IUPAC Name: | 3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoic acid |
Description: | 2-(2-Carboxyethyl)phenylboronic acid, pinacol ester |
Molecular Weight: | 276.14 |
Molecular Formula: | C15H21BO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CCC(=O)O |
InChI: | InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)12-8-6-5-7-11(12)9-10-13(17)18/h5-8H,9-10H2,1-4H3,(H,17,18) |
InChI Key: | GVRYFZYJQALDTB-UHFFFAOYSA-N |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.1532893 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.1532893 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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