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Structure

3-Ethoxyphenylboronic acid

CAS
90555-66-1
Catalog Number
ACM90555661
Category
Boronic Acids
Molecular Weight
165.98g/mol
Molecular Formula
C8H11BO3

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Specification

Synonyms
RARECHEM AH PB 0139;M-ETHOXYPHENYLBORONIC ACID;3-ETHOXYPHENYLBORONIC ACID;3-ETHOXYBENZENEBORONIC ACID;AKOS BRN-0069;3-Ethoxyphenylboronic Acid (contains varying amounts of Anhydride);3-Ethoxyphenylboronic acid ,98%;3-ETHOXYPHENYLBORONI
IUPAC Name
(3-ethoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)OCC)(O)O
InChI
InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key
CHCWUTJYLUBETR-UHFFFAOYSA-N
Complexity
130
Covalently-Bonded Unit Count
1
Exact Mass
166.080124g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
12
Monoisotopic Mass
166.080124g/mol
Rotatable Bond Count
3
What is the molecular formula of 3-Ethoxyphenylboronic acid?

The molecular formula of 3-Ethoxyphenylboronic acid is C8H11BO3.

What is the molecular weight of 3-Ethoxyphenylboronic acid?

The molecular weight of 3-Ethoxyphenylboronic acid is 165.98 g/mol.

What is the IUPAC name of 3-Ethoxyphenylboronic acid?

The IUPAC name of 3-Ethoxyphenylboronic acid is (3-ethoxyphenyl)boronic acid.

What is the InChI of 3-Ethoxyphenylboronic acid?

The InChI of 3-Ethoxyphenylboronic acid is InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3.

What is the InChIKey of 3-Ethoxyphenylboronic acid?

The InChIKey of 3-Ethoxyphenylboronic acid is CHCWUTJYLUBETR-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Ethoxyphenylboronic acid?

The canonical SMILES of 3-Ethoxyphenylboronic acid is B(C1=CC(=CC=C1)OCC)(O)O.

What is the CAS number of 3-Ethoxyphenylboronic acid?

The CAS number of 3-Ethoxyphenylboronic acid is 90555-66-1.

What is the European Community (EC) number of 3-Ethoxyphenylboronic acid?

The European Community (EC) number of 3-Ethoxyphenylboronic acid is 677-320-8.

Is 3-Ethoxyphenylboronic acid a canonicalized compound?

Yes, 3-Ethoxyphenylboronic acid is a canonicalized compound.

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