| CAS Number | 1547038-31-2 |
| Catalog Number | AG01DVM3 |
| Chemical Name | 4-oxo-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxylic acid |
| IUPAC Name | 4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H7NO4/c10-7-6-4(8(11)12)3-13-5(6)1-2-9-7/h3H,1-2H2,(H,9,10)(H,11,12) |
| InChI Key | GSTJMIFWMFSDCA-UHFFFAOYSA-N |
| MDL Number | MFCD26722828 |
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.1455 |
| SMILES | O=C1NCCC2=C1C(=CO2)C(=O)O |
| Synonyms | 4-oxo-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxylic acid,
1547038-31-2,
SCHEMBL16931210,
GSTJMIFWMFSDCA-UHFFFAOYSA-N,
AKOS023558986,
ZINC107127889,
4-oxo-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxylic acid,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.147g/mol |
| Monoisotopic Mass | 181.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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