Basic information
- Standard SMILES
Cc1cccc(C(=O)c2cccs2)c1CC(=O)O- InChIKey
MZEUQZHAEUMQGB-UHFFFAOYSA-N- Molecular formula
- C14H12O3S
- Average molar mass
- 260.31 g/mol
Names & identifiers
- Preferred name
- 2-[3-(2-Thenoyl)-o-tolyl]acetic acid
- IUPAC
- 2-[2-methyl-6-(thiophene-2-carbonyl)phenyl]acetic acid
Names & synonyms
SCHEMBL11704196MZEUQZHAEUMQGB-UHFFFAOYSA-N2-[3-(2-thenoyl)-o-tolyl]acetic acid2-[3-(2-thenoyl)-o-tolyl] acetic acid
Database identifiers
- PubChem CID
- 70637726
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Related reactions
3 records
Compound notes
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