4-Thiophen-2-ylbenzoic acid methyl ester

• CAS: 17595-86-7
• Catalog Number: ACM17595867
• Category: Boronic Esters
• Molecular Weight: 218.27
• Molecular Formula: C₁₂H₁₀O₂S
• Synonyms: Methyl 4-thiophen-2-ylbenzoate;4-Thiophen-2-yl-benzoic acid methyl ester

Custom Q&A

What is the molecular formula of 4-Thiophen-2-ylbenzoic acid methyl ester?

The molecular formula of 4-Thiophen-2-ylbenzoic acid methyl ester is C12H10O2S.

When was 4-Thiophen-2-ylbenzoic acid methyl ester created in PubChem?

4-Thiophen-2-ylbenzoic acid methyl ester was created in PubChem on September 10, 2005.

What is the molecular weight of 4-Thiophen-2-ylbenzoic acid methyl ester?

The molecular weight of 4-Thiophen-2-ylbenzoic acid methyl ester is 218.27 g/mol.

What is the IUPAC name of 4-Thiophen-2-ylbenzoic acid methyl ester?

The IUPAC name of 4-Thiophen-2-ylbenzoic acid methyl ester is methyl 4-thiophen-2-ylbenzoate.

What is the canonical SMILES representation of 4-Thiophen-2-ylbenzoic acid methyl ester?

The canonical SMILES representation of 4-Thiophen-2-ylbenzoic acid methyl ester is COC(=O)C1=CC=C(C=C1)C2=CC=CS2.

How many hydrogen bond acceptors are there in 4-Thiophen-2-ylbenzoic acid methyl ester?

There are 3 hydrogen bond acceptors in 4-Thiophen-2-ylbenzoic acid methyl ester.

What is the XLogP3 value of 4-Thiophen-2-ylbenzoic acid methyl ester?

The XLogP3 value of 4-Thiophen-2-ylbenzoic acid methyl ester is 3.6.

How many rotatable bonds are there in 4-Thiophen-2-ylbenzoic acid methyl ester?

There are 3 rotatable bonds in 4-Thiophen-2-ylbenzoic acid methyl ester.

Is 4-Thiophen-2-ylbenzoic acid methyl ester a canonicalized compound?

Yes, 4-Thiophen-2-ylbenzoic acid methyl ester is a canonicalized compound.

What is the topological polar surface area of 4-Thiophen-2-ylbenzoic acid methyl ester?

The topological polar surface area of 4-Thiophen-2-ylbenzoic acid methyl ester is 54.5Ų.