Methyl 5,6-Dihydroxynicotinate - CAS 1363382-77-7
Catalog: |
BB008347 |
Product Name: |
Methyl 5,6-Dihydroxynicotinate |
CAS: |
1363382-77-7 |
Synonyms: |
5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid methyl ester; methyl 5-hydroxy-6-oxo-1H-pyridine-3-carboxylate |
IUPAC Name: | methyl 5-hydroxy-6-oxo-1H-pyridine-3-carboxylate |
Description: | Methyl 5,6-Dihydroxynicotinate (CAS# 1363382-77-7) is a useful research chemical. |
Molecular Weight: | 169.13 |
Molecular Formula: | C7H7NO4 |
Canonical SMILES: | COC(=O)C1=CNC(=O)C(=C1)O |
InChI: | InChI=1S/C7H7NO4/c1-12-7(11)4-2-5(9)6(10)8-3-4/h2-3,9H,1H3,(H,8,10) |
InChI Key: | GKUFHKYBUJMWSL-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-2723717-A2 | Trpm8 antagonists and their use in treatments | 20110624 |
WO-2012177893-A2 | Trpm8 antagonists and their use in treatments | 20110624 |
TW-201111380-A | Heterocyclic urea derivatives and methods of use thereof | 20090826 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0375077 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0375077 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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