Methyl (2,5-dimethylthiophen-3-yl)(oxo)acetate
Basic information
- CAS
32977-84-7- Standard SMILES
COC(=O)C(=O)c1cc(C)sc1C- InChIKey
WWGPFXPDSKEIPC-UHFFFAOYSA-N- Molecular formula
- C9H10O3S
- Average molar mass
- 198.24 g/mol
- Monoisotopic mass
- 198.03506535
Names & identifiers
- Preferred name
- Methyl (2,5-dimethylthiophen-3-yl)(oxo)acetate
- IUPAC
- methyl 2-(2,5-dimethylthiophen-3-yl)-2-oxoacetate
Names & synonyms
32977-84-7DTXSID201257002Methyl 2,5-dimethyl-|A-oxo-3-thiopheneacetateMethyl (2,5-dimethylthiophen-3-yl)(oxo)acetateMethyl 2,5-dimethyl-I+/--oxo-3-thiopheneacetate3-Thiopheneacetic acid, 2,5-dimethyl-alpha-oxo-, methyl ester
Database identifiers
- CAS
32977-84-7- PubChem CID
- 82017702
- DTXSID
DTXSID201257002
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
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Related reactions
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Compound notes
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