Basic information
- CAS
59086-26-9- Standard SMILES
CCOC(=O)CC(C)C(=O)c1cccs1- InChIKey
NOENUNYGPXFONA-UHFFFAOYSA-N- Molecular formula
- C11H14O3S
- Average molar mass
- 226.29 g/mol
- Monoisotopic mass
- 226.06636548
Names & identifiers
- Preferred name
- Ethyl I(2)-methyl-I(3)-oxo-2-thiophenebutanoate
- IUPAC
- ethyl 3-methyl-4-oxo-4-thiophen-2-ylbutanoate
Names & synonyms
DTXSID20127266659086-26-9Ethyl 3-methyl-4-oxo-4-(thiophen-2-yl)butanoateEthyl I(2)-methyl-I(3)-oxo-2-thiophenebutanoate
Database identifiers
- CAS
59086-26-9- PubChem CID
- 12257592
- DTXSID
DTXSID201272666
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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