4-(Ethoxycarbonylmethyl)phenylboronic acid, pinacol ester

• CAS: 859169-20-3
• Catalog Number: ACM859169203
• Category: Boronic Esters
• Molecular Weight: 290.2
• Molecular Formula: C₁₆H₂₃BO₄
• Synonyms: 859169-20-3, (4-Ethoxycarbonylmethylphenyl)boronic acid pinacol ester, (4-Ethoxycarbonylmethylphenyl)boronic acid, pinacol ester, SureCN10228, CTK8B3316, ANW-42266, AKOS005259874, AK-36587, BR-36587, KB-38540, B-4526, 4-Ethoxycarbonylmethylphenylboronic acid, pinacol ester,, 4-(ETHOXYCARBONYLMETHYL)PHENYLBORONIC ACID, PINACOL ESTER, ethyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate, ETHYL 2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETATE
• IUPAC Name: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)OCC
• InChI Key: RPRBNRDIESZHFL-UHFFFAOYSA-N
• Exact Mass: 290.16900
• H-Bond Acceptor: 4
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 4-(Ethoxycarbonylmethyl)phenylboronic acid, pinacol ester?

The molecular formula is C16H23BO4.

What is the IUPAC name of the compound?

The IUPAC name is ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate.

What is the InChI of the compound?

The InChI is InChI=1S/C16H23BO4/c1-6-19-14(18)11-12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h7-10H,6,11H2,1-5H3.

What is the InChIKey of the compound?

The InChIKey is RPRBNRDIESZHFL-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

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

What is the CAS number of the compound?

The CAS number is 859169-20-3.

What is the European Community (EC) number of the compound?

The European Community (EC) number is 691-768-1.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID10674155.

What is the molecular weight of the compound?

The molecular weight is 290.2 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.