3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester
Basic information
- CAS
89780-75-6- Standard SMILES
COC(=O)n1c(=O)sc2ccccc21- InChIKey
WGQORZZLSPFOMR-UHFFFAOYSA-N- Molecular formula
- C9H7NO3S
- Average molar mass
- 209.22 g/mol
- Monoisotopic mass
- 209.01466426
Names & identifiers
- Preferred name
- 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester
- IUPAC
- methyl 2-oxo-1,3-benzothiazole-3-carboxylate
Names & synonyms
89780-75-63(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl estermethyl 2-oxo-1,3-benzothiazole-3(2H)-carboxylatemethyl 2-oxo-1,3-benzothiazole-3-carboxylateDTXSID00357263AO-435/41051497
Database identifiers
- CAS
89780-75-6- PubChem CID
- 848843
- DTXSID
DTXSID00357263- Nikkaji
- J258.068C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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