Basic information
- Standard SMILES
C=Cc1cc(O)cc2scc(CC(=O)OC)c12- InChIKey
GTAYCOLQNIEBSO-UHFFFAOYSA-N- Molecular formula
- C13H12O3S
- Average molar mass
- 248.3 g/mol
Names & identifiers
- Preferred name
- Methyl(6-hydroxy-4-vinyl-1-benzothiophen-3-yl)acetate
- IUPAC
- methyl 2-(4-ethenyl-6-hydroxy-1-benzothiophen-3-yl)acetate
Names & synonyms
SCHEMBL15211117GTAYCOLQNIEBSO-UHFFFAOYSA-NMethyl(6-hydroxy-4-vinyl-1-benzothiophen-3-yl)acetatemethyl 2-(6-hydroxy-4-vinyl-1-benzothiophen-3-yl)acetate
Database identifiers
- PubChem CID
- 89767599
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
3 records
Compound notes
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