4-(Methylsulfonyl)-2-pyrrolidinobenzoic acid

Basic Information

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CAS Number

1197193-17-1

Molecular Formula

C12H15NO4S

Molecular Weight

269.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)N2CCCC2

InChI

InChI=1S/C12H15NO4S/c1-18(16,17)9-4-5-10(12(14)15)11(8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)

InChIKey

CXDBUSOKXGSVLF-UHFFFAOYSA-N

LogP

1.3885

Topological Polar Surface Area

74.67999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

408

Synonyms & References

English

4-(Methylsulfonyl)-2-(pyrrolidin-1-yl)benzoic acid
4-(Methylsulfonyl)-2-pyrrolidinobenzoic Acid
4-(methylsulfonyl)-2-(1-pyrrolidinyl)Benzoic acid
4-methylsulfonyl-2-pyrrolidin-1-ylbenzoic acid
4-(Methylsulfonyl)-2-(pyrrolidin-1-yl)benzoicacid
6010AJ
TRA0062529
SY006924
AX8173881
AB0214409
4-(Methylsulfonyl)-2-pyrrolidinobenzoicAcid
4-(Methanesulfonyl)-2-(pyrrolidin-1-yl)benzoic acid
Benzoic
DTXSID30719855
4-METHANESULFONYL-2-(PYRROLIDIN-1-YL)BENZOIC ACID
Benzoic acid, 4-(methylsulfonyl)-2-(1-pyrrolidinyl)-
XXB19317
AC1847
A892465
4-(methylsulfonyl)-2-pyrrolidinobenzoic acid
DB-061620
1197193-17-1
CS-0441928
MFCD13191613
EN300-7416999
AKOS022172787
CS-11144

MDL Number

MFCD13191613

FAQ

What is 4-(Methylsulfonyl)-2-pyrrolidinobenzoic acid (CAS: 1197193-17-1)?

4-(Methylsulfonyl)-2-pyrrolidinobenzoic acid (CAS: 1197193-17-1) is a chemical compound with a molecular formula of C11H15NO4S. It is characterized by its acidic properties and is used in various applications including pharmaceuticals and research.

What are the main uses of 4-(Methylsulfonyl)-2-pyrrolidinobenzoic acid (CAS: 1197193-17-1)?

The main uses of 4-(Methylsulfonyl)-2-pyrrolidinobenzoic acid (CAS: 1197193-17-1) include its application in pharmaceuticals as an intermediate in drug synthesis and in research for its biological activity.

Is 4-(Methylsulfonyl)-2-pyrrolidinobenzoic acid (CAS: 1197193-17-1) safe?

4-(Methylsulfonyl)-2-pyrrolidinobenzoic acid (CAS: 1197193-17-1) is generally considered safe when handled with appropriate precautions. Users should avoid contact with skin and eyes, and ensure proper ventilation during use.

How should 4-(Methylsulfonyl)-2-pyrrolidinobenzoic acid (CAS: 1197193-17-1) be stored?

4-(Methylsulfonyl)-2-pyrrolidinobenzoic acid (CAS: 1197193-17-1) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to maintain its stability.