Basic information
- Standard SMILES
COC(=O)CC(=O)c1cc2cc(OC)c(OC)cc2s1- InChIKey
LVDAOBKPTSWTDW-UHFFFAOYSA-N- Molecular formula
- C14H14O5S
- Average molar mass
- 294.32 g/mol
- Monoisotopic mass
- 294.05619472
Names & identifiers
- Preferred name
- 3-(5,6-Dimethoxybenzo[b]thien-2-yl)-3-oxo-propanoic acid methyl ester
- IUPAC
- methyl 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-oxopropanoate
Names & synonyms
SCHEMBL9203238LVDAOBKPTSWTDW-UHFFFAOYSA-N3-(5,6-dimethoxybenzo[b]thien-2-yl)-3-oxo-propanoic acid methyl ester
Database identifiers
- PubChem CID
- 54054262
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Related reactions
4 records
Compound notes
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