2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid - CAS 2860-55-1
Catalog: |
BB060841 |
Product Name: |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid |
CAS: |
2860-55-1 |
Synonyms: |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid; 6-methyl-2-oxo-1H-pyridine-3,4-dicarboxylic acid; 6-methyl-2-oxo-1,2-dihydropyridine-3,4-dicarboxylic acid; 2-Hydroxy-6-methylpyridine-3,4-dicarboxylicacid |
IUPAC Name: | 6-methyl-2-oxo-1H-pyridine-3,4-dicarboxylic acid |
Description: | 2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid |
Molecular Weight: | 197.15 |
Molecular Formula: | C8H7NO5 |
Canonical SMILES: | CC1=CC(=C(C(=O)N1)C(=O)O)C(=O)O |
InChI: | InChI=1S/C8H7NO5/c1-3-2-4(7(11)12)5(8(13)14)6(10)9-3/h2H,1H3,(H,9,10)(H,11,12)(H,13,14) |
InChI Key: | NRDIWFNIJGTANY-UHFFFAOYSA-N |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.03242232 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.03242232 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 104Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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