3-Carboxy-4-methylphenylboronic Acid Pinacol Ester - CAS 1431542-21-0
Catalog: |
BB070554 |
Product Name: |
3-Carboxy-4-methylphenylboronic Acid Pinacol Ester |
CAS: |
1431542-21-0 |
Synonyms: |
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid; 2-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid; 3-Carboxy-4-methylphenylboronic acid pinacol ester |
IUPAC Name: | 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
Molecular Weight: | 260.13 |
Molecular Formula: | C15H21BO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C)C(=O)O |
InChI: | InChI=1S/C14H19BO4/c1-9-6-7-10(8-11(9)12(16)17)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17) |
InChI Key: | UMMKZTMPOIHDSP-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: | 262.1376392 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.1376392 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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