3-Methyl-2-thiophenecarboxylic acid

• Catalog Number: ACM23806248
• Product Name: 3-Methyl-2-thiophenecarboxylic acid
• CAS: 23806-24-8
• Category: Thiophenes
• Synonyms: 3-Methylthiophene-2-carboxylic acid;3-Methyl-2-thenoic Acid
• IUPAC Name: 3-methylthiophene-2-carboxylic acid
• Molecular Weight: 142.18g/mol
• Molecular Formula: C6H6O2S
• Canonical SMILES: CC1=C(SC=C1)C(=O)O
• InChI: InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
• InChI Key: IFLKEBSJTZGCJG-UHFFFAOYSA-N
• Melting Point: 147-149 °C
• Appearance: Yellow Solid
• Complexity: 124
• Covalently-Bonded Unit Count: 1
• EC Number: 245-894-5
• Exact Mass: 142.008851g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 9
• Monoisotopic Mass: 142.008851g/mol
• Rotatable Bond Count: 1
• XLogP3: 1.8