4-Oxooxetane-2-carboxylic acid

Basic Information

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CAS Number

90730-97-5

Molecular Formula

C4H4O4

Molecular Weight

116.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

356.9±35.0 °C(Predicted)

Density

1.640±0.06 g/cm3(Predicted)

Flash Point

169.1±19.4 °C

Vapor Pressure

0.0±1.7 mmHg at 25°C

SMILES

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C1C(OC1=O)C(=O)O

InChI

InChI=1S/C4H4O4/c5-3-1-2(8-3)4(6)7/h2H,1H2,(H,6,7)

InChIKey

ROTWZASRXNRBGI-UHFFFAOYSA-N

LogP

-0.6134999999999999

pKa

2.94±0.20(Predicted)

Topological Polar Surface Area

63.599999999999994 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

139

Synonyms & References

English

2-Oxetanecarboxylic acid, 4-oxo-
4-OXOOXETANE-2-CARBOXYLIC ACID
4-oxo-2-Oxetanecarboxylic acid
CS-0050787
AS-53835
P17181
AKOS006379026
90730-97-5
SCHEMBL14601671
4-Oxooxetane-2-carboxylic acid
4-Oxooxetane-2-carboxylicacid
4-Oxo-2-oxetanecarboxylic acid
4-Oxooxetan-2-carboxylic acid
4-carboxy-2-oxetanone

MDL Number

MFCD19228927

FAQ

What is 4-Oxooxetane-2-carboxylic acid (CAS: 90730-97-5)?

4-Oxooxetane-2-carboxylic acid (CAS: 90730-97-5) is a cyclic tetrahydroxy acid with the molecular formula C4H6O4. It is colorless or white crystalline solid with a pungent odor. This compound is used in the synthesis of various organic compounds and as a reagent in chemical reactions.

What are the main uses of 4-Oxooxetane-2-carboxylic acid (CAS: 90730-97-5)?

4-Oxooxetane-2-carboxylic acid (CAS: 90730-97-5) is primarily used in organic synthesis as a building block for various pharmaceuticals and polymers. It also serves as a valuable intermediate in the production of chiral compounds for the pharmaceutical industry.

Is 4-Oxooxetane-2-carboxylic acid (CAS: 90730-97-5) safe?

4-Oxooxetane-2-carboxylic acid (CAS: 90730-97-5) is generally considered safe when handled with proper protective measures. However, it should be used in well-ventilated areas and with appropriate personal protective equipment (PPE) including gloves and goggles. Avoid contact with skin and eyes.

How should 4-Oxooxetane-2-carboxylic acid (CAS: 90730-97-5) be stored?

4-Oxooxetane-2-carboxylic acid (CAS: 90730-97-5) should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a sealed container to prevent degradation. Store at room temperature (15-25°C) or slightly cooler, and avoid exposure to extreme temperatures or humidity to maintain its stability and purity.