Basic information
- CAS
115660-78-1- Standard SMILES
COC(=O)C1(C)CSCC1=O- InChIKey
NCDLJXHKOBAWLY-UHFFFAOYSA-N- Molecular formula
- C7H10O3S
- Average molar mass
- 174.22 g/mol
- Monoisotopic mass
- 174.03506535
Names & identifiers
- Preferred name
- Methyl 3-methyl-4-oxothiolane-3-carboxylate
- IUPAC
- methyl 3-methyl-4-oxothiolane-3-carboxylate
Names & synonyms
DTXSID201206128methyl 3-methyl-4-oxothiolane-3-carboxylateMethyl tetrahydro-3-methyl-4-oxo-3-thiophenecarboxylate115660-78-1
Database identifiers
- CAS
115660-78-1- PubChem CID
- 85558932
- DTXSID
DTXSID201206128
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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