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Structure

3-Formyl-4-methoxyphenylboronic acid

CAS
121124-97-8
Catalog Number
ACM121124978
Category
Boronic Acids
Molecular Weight
179.97g/mol
Molecular Formula
C8H9BO4

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Specification

IUPAC Name
(3-formyl-4-methoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)OC)C=O)(O)O
InChI
InChI=1S/C8H9BO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5,11-12H,1H3
InChI Key
YJQDBKGGRPJSOI-UHFFFAOYSA-N
Complexity
174
Covalently-Bonded Unit Count
1
Exact Mass
180.059389g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
13
Monoisotopic Mass
180.059389g/mol
Rotatable Bond Count
3
What is the molecular formula of 3-Formyl-4-methoxyphenylboronic acid?

The molecular formula is C8H9BO4.

What is the molecular weight of 3-Formyl-4-methoxyphenylboronic acid?

The molecular weight is 179.97 g/mol.

When was 3-Formyl-4-methoxyphenylboronic acid created?

It was created on July 19, 2005.

What is the IUPAC Name of 3-Formyl-4-methoxyphenylboronic acid?

The IUPAC Name is (3-formyl-4-methoxyphenyl)boronic acid.

What is the InChI of 3-Formyl-4-methoxyphenylboronic acid?

The InChI is InChI=1S/C8H9BO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5,11-12H,1H3.

What is the InChIKey of 3-Formyl-4-methoxyphenylboronic acid?

The InChIKey is YJQDBKGGRPJSOI-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Formyl-4-methoxyphenylboronic acid?

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

What is the CAS number of 3-Formyl-4-methoxyphenylboronic acid?

The CAS number is 121124-97-8.

How many hydrogen bond donor counts does 3-Formyl-4-methoxyphenylboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3-Formyl-4-methoxyphenylboronic acid have?

It has 4 hydrogen bond acceptor counts.

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