Methyl 4-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate - CAS 916226-83-0
Catalog: |
BB040286 |
Product Name: |
Methyl 4-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate |
CAS: |
916226-83-0 |
Synonyms: |
4-hydroxy-1-methyl-2-oxo-3-pyridinecarboxylic acid methyl ester; methyl 4-hydroxy-1-methyl-2-oxopyridine-3-carboxylate |
IUPAC Name: | methyl 4-hydroxy-1-methyl-2-oxopyridine-3-carboxylate |
Description: | Methyl 4-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate (CAS# 916226-83-0 ) is a useful research chemical. |
Molecular Weight: | 183.16 |
Molecular Formula: | C8H9NO4 |
Canonical SMILES: | CN1C=CC(=C(C1=O)C(=O)OC)O |
InChI: | InChI=1S/C8H9NO4/c1-9-4-3-5(10)6(7(9)11)8(12)13-2/h3-4,10H,1-2H3 |
InChI Key: | WGVJBUNCLUARHW-UHFFFAOYSA-N |
Boiling Point: | 321.0±42.0 °C (760 mmHg) |
Density: | 1.396±0.06 g/cm3 (20 °C, 760 mmH g) |
LogP: | -0.12250 |
Publication Number | Title | Priority Date |
EP-1902047-B1 | Carboxamide compound and use of the same | 20050714 |
EP-1915365-B1 | Carboxamide compound and use of the same | 20050714 |
ES-2359865-T3 | Carboxyamide COMPOUND USING THE SAME. | 20050714 |
JP-2007169258-A | Carboxamide compound and plant disease control agent containing the same | 20050714 |
JP-2007169259-A | Carboxamide compounds and their use for controlling plant diseases | 20050714 |
PMID | Publication Date | Title | Journal |
18402429 | 20080515 | Computational study on the aminolysis of beta-hydroxy-alpha,beta-unsaturated ester via the favorable path including the formation of alpha-oxo ketene intermediate | The journal of physical chemistry. A |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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