| CAS Number | 1248899-71-9 |
| Catalog Number | AG01BICR |
| Chemical Name | 2-Oxo-2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine-3-carboxylic acid |
| IUPAC Name | 2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H9NO4/c11-8-6(9(12)13)3-5-4-14-2-1-7(5)10-8/h3H,1-2,4H2,(H,10,11)(H,12,13) |
| InChI Key | VCDJVXYQSIFMIH-UHFFFAOYSA-N |
| MDL Number | MFCD16070482 |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.1721 |
| SMILES | O=C1C(=CC2=C(N1)CCOC2)C(=O)O |
| Synonyms | 1248899-71-9,
2-oxo-2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine-3-carboxylic acid,
2-oxo-1H,2H,5H,7H,8H-pyrano[4,3-b]pyridine-3-carboxylic acid,
SCHEMBL17678623,
ZINC43404570,
AKOS010924105,
AKOS022917453,
Z2805897346,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.174g/mol |
| Monoisotopic Mass | 195.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number