7-Oxo-6H,7H-thieno[2,3-c]pyridine-5-carboxylic Acid - CAS 60249-01-6
Catalog: |
BB066191 |
Product Name: |
7-Oxo-6H,7H-thieno[2,3-c]pyridine-5-carboxylic Acid |
CAS: |
60249-01-6 |
Synonyms: |
7-oxo-6H,7H-thieno[2,3-c]pyridine-5-carboxylic acid; 7-Oxo-6,7-dihydrothieno[2,3-c]pyridine-5-carboxylic acid; 7-oxo-6H-thieno[2,3-c]pyridine-5-carboxylic acid |
IUPAC Name: | 7-oxo-6H-thieno[2,3-c]pyridine-5-carboxylic acid |
Molecular Weight: | 195.19 |
Molecular Formula: | C8H5NO3S |
Canonical SMILES: | C1=CSC2=C1C=C(NC2=O)C(=O)O |
InChI: | InChI=1S/C8H5NO3S/c10-7-6-4(1-2-13-6)3-5(9-7)8(11)12/h1-3H,(H,9,10)(H,11,12) |
InChI Key: | DWNVRIUKTJNJEI-UHFFFAOYSA-N |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.9990142 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.9990142 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 94.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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