2-(4-Methylthiophene-2-Carboxy)Benzoic Acid

• CAS: 875844-90-9
• Catalog Number: ACM875844909
• Category: Thiophenes
• Molecular Weight: 246.28
• Molecular Formula: C13H10O3S
• Synonyms: Benzoic acid, 2-[(4-methyl-2-thienyl)carbonyl]-

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(4-methylthiophene-2-carbonyl)benzoic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C13H10O3S.

What is the molecular weight of the compound?

The molecular weight of the compound is 246.28 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H10O3S/c1-8-6-11(17-7-8)12(14)9-4-2-3-5-10(9)13(15)16/h2-7H,1H3,(H,15,16).

What is the InChIKey of the compound?

The InChIKey of the compound is MBTWPRYRYRYDRZ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC1=CSC(=C1)C(=O)C2=CC=CC=C2C(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 875844-90-9.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 804-622-0.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.2.

Is the compound canonicalized?

Yes, the compound is canonicalized.