Basic information
- CAS
58108-07-9- Standard SMILES
COC(=O)COc1c(C(=O)OC)sc2ccccc12- InChIKey
AKLNOGPZLDXJDM-UHFFFAOYSA-N- Molecular formula
- C13H12O5S
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.04054465
Names & identifiers
- Preferred name
- Methyl 3-(2-methoxy-2-oxoethoxy)benzo[b]thiophene-2-carboxylate
- IUPAC
- methyl 3-(2-methoxy-2-oxoethoxy)-1-benzothiophene-2-carboxylate
Names & synonyms
58108-07-9methyl 3-(2-methoxy-2-oxoethoxy)benzo[b]thiophene-2-carboxylateMethyl 3-(2-methoxy-2-oxoethoxy)benzo(b)thiophene-2-carboxylateRefChem:354638methyl 3-(2-methoxy-2-oxoethoxy)-1-benzothiophene-2-carboxylateMaybridge3_003705Oprea1_752492DTXSID801175107HMS1441I09CCG-238058IDI1_015092
Database identifiers
- CAS
58108-07-9- PubChem CID
- 2819783
- DTXSID
DTXSID801175107
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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