Basic information
- Standard SMILES
Cc1ccc(C(=O)[O-])s1- InChIKey
VCNGNQLPFHVODE-UHFFFAOYSA-M- Molecular formula
- C6H5O2S-
- Average molar mass
- 141.17 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-2-thiophene carboxylate
- IUPAC
- 5-methylthiophene-2-carboxylate
Names & synonyms
5-Methyl-2-thiophene carboxylateVCNGNQLPFHVODE-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 6930474
- Nikkaji
- J3.107.011B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- -1
- Complexity
- 119
Related reactions
2 records
Compound notes
Loading…