Basic information
- CAS
1261904-26-0- Standard SMILES
Cc1cc(C(=O)O)ccc1-c1ccc(C=O)s1- InChIKey
GCQNQGRZNSEWPI-UHFFFAOYSA-N- Molecular formula
- C13H10O3S
- Average molar mass
- 246.28 g/mol
- Monoisotopic mass
- 246.03506535
Names & identifiers
- Preferred name
- 4-(5-Formylthiophen-2-YL)-3-methylbenzoic acid
- IUPAC
- 4-(5-formylthiophen-2-yl)-3-methylbenzoic acid
Names & synonyms
1261904-26-04-(5-FORMYLTHIOPHEN-2-YL)-3-METHYLBENZOIC ACIDMFCD18319844SCHEMBL2557907DTXSID406894944-(5-formyl-2-thienyl)-3-methyl-benzoic acid4-(5-Formylthiophen-2-yl)-3-methylbenzoic acid, 95%
Database identifiers
- CAS
1261904-26-0- PubChem CID
- 53225762
- DTXSID
DTXSID40689494
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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