6-Ethoxy-5-methoxy-benzo[b]thiophene-2-carboxylic acid
Basic information
- CAS
97852-73-8- Standard SMILES
CCOc1cc2sc(C(=O)O)cc2cc1OC- InChIKey
ALNLDDWBWACUIC-UHFFFAOYSA-N- Molecular formula
- C12H12O4S
- Average molar mass
- 252.29 g/mol
- Monoisotopic mass
- 252.04563003
Names & identifiers
- Preferred name
- 6-Ethoxy-5-methoxy-benzo[b]thiophene-2-carboxylic acid
- IUPAC
- 6-ethoxy-5-methoxy-1-benzothiophene-2-carboxylic acid
Names & synonyms
97852-73-8Benzo[b]thiophene-2-carboxylic acid, 6-ethoxy-5-methoxy-6-Ethoxy-5-methoxy-benzo[b]thiophene-2-carboxylic acidSCHEMBL10642176DTXSID901213714AKOS0385572016-ethoxy-5-methoxy-1-benzothiophene-2-carboxylic acid6-Ethoxy-5-methoxybenzo[b]thiophene-2-carboxylic acid
Database identifiers
- CAS
97852-73-8- PubChem CID
- 20259232
- DTXSID
DTXSID901213714
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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