Basic information
- CAS
1261928-11-3- Standard SMILES
COc1cc(-c2cccs2)ccc1C(=O)O- InChIKey
WYQWUBXEJCWGQG-UHFFFAOYSA-N- Molecular formula
- C12H10O3S
- Average molar mass
- 234.27 g/mol
- Monoisotopic mass
- 234.03506535
Names & identifiers
- Preferred name
- 2-Methoxy-4-(thiophen-2-YL)benzoic acid
- IUPAC
- 2-methoxy-4-thiophen-2-ylbenzoic acid
Names & synonyms
1261928-11-32-METHOXY-4-(THIOPHEN-2-YL)BENZOIC ACIDMFCD183188642-methoxy-4-thiophen-2-ylbenzoic acidCHEMBL1922553DTXSID206885412-methoxy-4-(2-thienyl)benzoic acid2-Methoxy-4-(thiophen-2-yl)benzoic acid, 95%A1-138528
Database identifiers
- CAS
1261928-11-3- PubChem CID
- 53224809
- DTXSID
DTXSID20688541- ChEMBL
CHEMBL1922553
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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