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Structure

Benzaldehyde-3-sulfonic acid

CAS
98-45-3
Catalog Number
ACM98453
Category
Other Products
Molecular Weight
186.18514
Molecular Formula
C7H6O4S

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Specification

Synonyms
Benzaldehyde-3-sulfonic acid
What is the molecular formula of Benzaldehyde-3-sulfonic acid?

The molecular formula of Benzaldehyde-3-sulfonic acid is C7H6O4S.

When was Benzaldehyde-3-sulfonic acid created in PubChem?

Benzaldehyde-3-sulfonic acid was created in PubChem on March 26, 2005.

What is the IUPAC name of Benzaldehyde-3-sulfonic acid?

The IUPAC name of Benzaldehyde-3-sulfonic acid is 3-formylbenzenesulfonic acid.

What is the InChIKey of Benzaldehyde-3-sulfonic acid?

The InChIKey of Benzaldehyde-3-sulfonic acid is MRXZEDMLQMDMGB-UHFFFAOYSA-N.

What is the Canonical SMILES of Benzaldehyde-3-sulfonic acid?

The Canonical SMILES of Benzaldehyde-3-sulfonic acid is C1=CC(=CC(=C1)S(=O)(=O)O)C=O.

What is the molecular weight of Benzaldehyde-3-sulfonic acid?

The molecular weight of Benzaldehyde-3-sulfonic acid is 186.19 g/mol.

What is the XLogP3-AA value of Benzaldehyde-3-sulfonic acid?

The XLogP3-AA value of Benzaldehyde-3-sulfonic acid is 0.1.

How many hydrogen bond acceptors are there in Benzaldehyde-3-sulfonic acid?

There are 4 hydrogen bond acceptors in Benzaldehyde-3-sulfonic acid.

What is the topological polar surface area of Benzaldehyde-3-sulfonic acid?

The topological polar surface area of Benzaldehyde-3-sulfonic acid is 79.8 Ų.

Is Benzaldehyde-3-sulfonic acid a canonicalized compound in PubChem?

Yes, Benzaldehyde-3-sulfonic acid is a canonicalized compound in PubChem.

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