3-Ethoxycarbonylphenylboronic acid

• CAS: 4334-87-6
• Catalog Number: ACM4334876
• Category: Boronic Acids
• Molecular Weight: 193.99g/mol
• Molecular Formula: C9H11BO4
• Synonyms: M-ETHOXYCARBONYLPHENYLBORONIC ACID;ETHYL 3-BORONOBENZOATE;3-(ETHOXYCARBONYL)BENZENEBORONIC ACID;3-ETHOXYCARBONYLPHENYLBORONIC ACID;3-CARBETHOXY-PHENYL-BORONIC ACID;AKOS BRN-0097;3-(Ethoxycarbonyl)Phenylboroni;3-Ethoxycarbonylphenylboronic acid,97%
• IUPAC Name: (3-ethoxycarbonylphenyl)boronic acid
• SMILES: B(C1=CC(=CC=C1)C(=O)OCC)(O)O
• InChI: InChI=1S/C9H11BO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6,12-13H,2H2,1H3
• InChI Key: REHVCPNQQBDOJJ-UHFFFAOYSA-N
• Complexity: 195
• Covalently-Bonded Unit Count: 1
• Exact Mass: 194.075039g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 14
• Monoisotopic Mass: 194.075039g/mol
• Rotatable Bond Count: 4

Custom Q&A

What is the PubChem CID of 3-Ethoxycarbonylphenylboronic acid?

PubChem CID 3249312.

What is the molecular formula of 3-Ethoxycarbonylphenylboronic acid?

The molecular formula is C9H11BO4.

What is the molecular weight of 3-Ethoxycarbonylphenylboronic acid?

The molecular weight is 193.99 g/mol.

What is the IUPAC name of 3-Ethoxycarbonylphenylboronic acid?

The IUPAC name is (3-ethoxycarbonylphenyl)boronic acid.

What is the InChI of 3-Ethoxycarbonylphenylboronic acid?

The InChI is InChI=1S/C9H11BO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6,12-13H,2H2,1H3.

What is the InChIKey of 3-Ethoxycarbonylphenylboronic acid?

The InChIKey is REHVCPNQQBDOJJ-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Ethoxycarbonylphenylboronic acid?

The canonical SMILES is B(C1=CC(=CC=C1)C(=O)OCC)(O)O.

What is the CAS number of 3-Ethoxycarbonylphenylboronic acid?

The CAS number is 4334-87-6.

What is the ChEMBL ID of 3-Ethoxycarbonylphenylboronic acid?

The ChEMBL ID is CHEMBL488800.

Is 3-Ethoxycarbonylphenylboronic acid a covalently-bonded unit?

Yes, 3-Ethoxycarbonylphenylboronic acid has a covalently-bonded unit count of 1.