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Structure

3-Ethoxycarbonylphenylboronic acid

CAS
4334-87-6
Catalog Number
ACM4334876
Category
Boronic Acids
Molecular Weight
193.99g/mol
Molecular Formula
C9H11BO4

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Specification

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
Canonical 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
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.

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