Basic information
- Standard SMILES
CCOC(=O)Cc1csc2cc(O)ccc12- InChIKey
XGOWYXHVRJISDX-UHFFFAOYSA-N- Molecular formula
- C12H12O3S
- Average molar mass
- 236.29 g/mol
Names & identifiers
- Preferred name
- (6-Hydroxy-benzo[b]thiophen-3-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-(6-hydroxy-1-benzothiophen-3-yl)acetate
Names & synonyms
726174-50-1SCHEMBL2083362XGOWYXHVRJISDX-UHFFFAOYSA-NDB-095977ethyl(6-hydroxy-1-benzothiophen-3-yl)acetate(6-hydroxy-benzo[b]thiophen-3-yl)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 57431998
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Related reactions
13 records
Compound notes
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