4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid

• CAS: 95124-68-8
• Catalog Number: ACM95124688
• Category: Other Products
• Molecular Weight: 204.18
• Molecular Formula: C₁₀H₈N₂O₃

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C10H8N2O3.

What is the molecular weight of the compound?

The molecular weight is 204.18 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C10H8N2O3/c1-6-11-9(12-15-6)7-2-4-8(5-3-7)10(13)14/h2-5H,1H3,(H,13,14).

What is the InChIKey of the compound?

The InChIKey is DTKAUYQBZSOHRJ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC1=NC(=NO1)C2=CC=C(C=C2)C(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 95124-68-8.

What is the EC number of the compound?

The EC number of the compound is 630-174-9.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 1.9.

Is the compound a canonicalized compound?

Yes, the compound is canonicalized according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 23610-05-1

• 95124-68-8

Reference: [1]Chemische Berichte,1886,vol. 19,p. 1494

Upstream Synthesis Route 2

• 619-66-9
• 64-19-7

• 95124-68-8

Reference: [1]Journal of Organic Chemistry,1985,vol. 50,p. 1182 - 1186

Downstream Synthesis Route 1

• 95124-68-8
• 169157-78-2

• 340736-46-1

Reference: [1]Chemical and Pharmaceutical Bulletin,2001,vol. 49,p. 268 - 277

* For details of the synthesis route, please refer to the original source to ensure accuracy.