Basic information
- CAS
60249-02-7- Standard SMILES
O=C(O)c1cc2sccc2c(=O)[nH]1- InChIKey
LTUVSXWFSWZPLS-UHFFFAOYSA-N- Molecular formula
- C8H5NO3S
- Average molar mass
- 195.2 g/mol
- Monoisotopic mass
- 194.9990142
Names & identifiers
- Preferred name
- 4-Oxo-4,5-dihydrothieno[3,2-c]pyridine-6-carboxylic acid
- IUPAC
- 4-oxo-5H-thieno[3,2-c]pyridine-6-carboxylic acid
Names & synonyms
NSC28213560249-02-74-oxo-4,5-dihydrothieno[3,2-c]pyridine-6-carboxylic acidDTXSID10314362NSC-282135
Database identifiers
- CAS
60249-02-7- PubChem CID
- 323249
- DTXSID
DTXSID10314362
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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