Basic information
- Standard SMILES
COC(=O)CC(=O)c1nccs1- InChIKey
RWDSLNJXQVGSII-UHFFFAOYSA-N- Molecular formula
- C7H7NO3S
- Average molar mass
- 185.2 g/mol
- Monoisotopic mass
- 185.01466426
Names & identifiers
- Preferred name
- Methyl 3-oxo-3-(1,3-thiazol-2-yl)propanoate
- IUPAC
- methyl 3-oxo-3-(1,3-thiazol-2-yl)propanoate
Names & synonyms
methyl 3-oxo-3-(1,3-thiazol-2-yl)propanoate245748-88-3Methyl 3-Oxo-3-(thiazol-2-yl)propanoateSCHEMBL2800676RWDSLNJXQVGSII-UHFFFAOYSA-NMFCD23743211AKOS018237111SY497786DB-334577methyl3-oxo-3-(1,3-thiazol-2-yl)propanoateEN300-153107methyl 3-oxo-3-(1,3-thiazol-2-yl)propionate
Database identifiers
- PubChem CID
- 57436906
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Related reactions
4 records
Linked notes
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