4-Ethoxycarbonylphenylboronic acid

• CAS: 4334-88-7
• Catalog Number: ACM4334887
• Category: Boronic Acids
• Molecular Weight: 193.99g/mol
• Molecular Formula: C9H11BO4
• Synonyms: P-ETHOXYCARBONYLPHENYLBORONIC ACID;ETHYL 4-BORONOBENZOATE;AKOS BRN-0420;4-ETHOXYCARBONYLPHENYLBORONIC ACID;4-(ETHOXYCARBONYL)BENZENEBORONIC ACID;4-CARBETHOXY-PHENYL-BORONIC ACID;Ethyl 4-Boronobenzoat;4-Borono-benzoic Acid 1-Ethyl Ester
• IUPAC Name: (4-ethoxycarbonylphenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)OCC)(O)O
• InChI: InChI=1S/C9H11BO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6,12-13H,2H2,1H3
• InChI Key: ZLNFACCFYUFTLD-UHFFFAOYSA-N
• Complexity: 187
• 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 4-Ethoxycarbonylphenylboronic acid?

The PubChem CID of 4-Ethoxycarbonylphenylboronic acid is 2734350.

What is the molecular formula of 4-Ethoxycarbonylphenylboronic acid?

The molecular formula of 4-Ethoxycarbonylphenylboronic acid is C9H11BO4.

What is the molecular weight of 4-Ethoxycarbonylphenylboronic acid?

The molecular weight of 4-Ethoxycarbonylphenylboronic acid is 193.99 g/mol.

What is the IUPAC name of 4-Ethoxycarbonylphenylboronic acid?

The IUPAC name of 4-Ethoxycarbonylphenylboronic acid is (4-ethoxycarbonylphenyl)boronic acid.

What is the InChI of 4-Ethoxycarbonylphenylboronic acid?

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

What is the InChIKey of 4-Ethoxycarbonylphenylboronic acid?

The InChIKey of 4-Ethoxycarbonylphenylboronic acid is ZLNFACCFYUFTLD-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Ethoxycarbonylphenylboronic acid?

The canonical SMILES of 4-Ethoxycarbonylphenylboronic acid is B(C1=CC=C(C=C1)C(=O)OCC)(O)O.

What is the CAS number of 4-Ethoxycarbonylphenylboronic acid?

The CAS number of 4-Ethoxycarbonylphenylboronic acid is 4334-88-7.

What is the hydrogen bond donor count of 4-Ethoxycarbonylphenylboronic acid?

The hydrogen bond donor count of 4-Ethoxycarbonylphenylboronic acid is 2.

Is 4-Ethoxycarbonylphenylboronic acid a canonicalized compound?

Yes, 4-Ethoxycarbonylphenylboronic acid is a canonicalized compound.