Mono methylthiophene dicarboxylic acid
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Basic information
- Standard SMILES
Cc1csc(C(=O)O)c1C(=O)O- InChIKey
SWLJSZZPQRJQES-UHFFFAOYSA-N- Molecular formula
- C7H6O4S
- Average molar mass
- 186.19 g/mol
Names & identifiers
- Preferred name
- Mono methylthiophene dicarboxylic acid
- IUPAC
- 4-methylthiophene-2,3-dicarboxylic acid
Names & synonyms
mono methylthiophene dicarboxylic acidSCHEMBL6492073SWLJSZZPQRJQES-UHFFFAOYSA-NAKOS0002825884-methyl-2,3-thiophenedicarboxylic acid4-methylthiophene-2,3-dicarboxylic acidAU-059/43519067
Database identifiers
- PubChem CID
- 22285229
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Related reactions
1 records
Compound notes
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