Cumenedisulfonic acid

CAS
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CAS
93904-94-0
Size
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Purity
96%
Price
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Catalog Number

ACM93904940

Product Name

Cumenedisulfonic acid

Structure

Structure

CAS

93904-94-0

Category

Heterocyclic Organic Compound

Synonyms

CUMENEDISULFONIC ACID, 93904-94-0, CTK5H3870, AG-H-84782

IUPAC Name

3-propan-2-ylbenzene-1,2-disulfonic acid

Molecular Weight

280.317980 [g/mol]

Molecular Formula

C9H12O6S2

Canonical SMILES

CC(C)C1=C(C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O

InChI Key

NZDMEVRRRUTNMT-UHFFFAOYSA-N

Density

1.549g/cm³

EC Number

299-829-0

Exact Mass

280.00800

H-Bond Acceptor

6

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Cumenedisulfonic acid?

The molecular formula of Cumenedisulfonic acid is C9H12O6S2.

When was Cumenedisulfonic acid created in PubChem?

Cumenedisulfonic acid was created in PubChem on December 5, 2007.

What is the molecular weight of Cumenedisulfonic acid?

The molecular weight of Cumenedisulfonic acid is 280.3 g/mol.

What is the Canonical SMILES representation of Cumenedisulfonic acid?

The Canonical SMILES representation of Cumenedisulfonic acid is CC(C)C1=C(C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O.

What is the CAS number for Cumenedisulfonic acid?

The CAS number for Cumenedisulfonic acid is 93904-94-0.

How many hydrogen bond donor counts does Cumenedisulfonic acid have?

Cumenedisulfonic acid has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of Cumenedisulfonic acid?

The XLogP3-AA value of Cumenedisulfonic acid is 0.5.

What is the Topological Polar Surface Area of Cumenedisulfonic acid?

The Topological Polar Surface Area of Cumenedisulfonic acid is 126 Å².

Is Cumenedisulfonic acid a canonicalized compound in PubChem?

Yes, Cumenedisulfonic acid is a canonicalized compound in PubChem.

How many rotatable bond counts does Cumenedisulfonic acid have?

Cumenedisulfonic acid has 3 rotatable bond counts.

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