What is the molecular formula of 3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester?

The molecular formula is C14H21BO3.

What is the molecular weight of 3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester?

The molecular weight is 248.13 g/mol.

The IUPAC name is 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.

The InChIKey is TYCKOBOJYNRIBO-UHFFFAOYSA-N.

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C)O)C.

The DSSTox Substance ID is DTXSID20370419.

NAVIGATION

Name: 3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester
SKU: ACM269410255
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PRICE INQUIRY

Catalog NumberACM269410255

CAS Number269410-25-5

CategorySalt

IUPAC Name

2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Molecular Weight

248.13g/mol

Molecular Formula

C14H21BO3

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C)O)C

InChI

InChI=1S/C14H21BO3/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3

InChI Key

TYCKOBOJYNRIBO-UHFFFAOYSA-N

Purity

95%

Complexity

288

Covalently-Bonded Unit Count

Exact Mass

248.158375g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

248.158375g/mol

Rotatable Bond Count

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