Ethyl 3-Hydroxypyridazine-4-carboxylate - CAS 1445-55-2
Catalog: |
BB009790 |
Product Name: |
Ethyl 3-Hydroxypyridazine-4-carboxylate |
CAS: |
1445-55-2 |
Synonyms: |
6-oxo-1H-pyridazine-5-carboxylic acid ethyl ester; ethyl 6-oxo-1H-pyridazine-5-carboxylate |
IUPAC Name: | ethyl 6-oxo-1H-pyridazine-5-carboxylate |
Description: | Ethyl 3-Hydroxypyridazine-4-carboxylate (CAS# 1445-55-2) is a useful research chemical. |
Molecular Weight: | 168.15 |
Molecular Formula: | C7H8N2O3 |
Canonical SMILES: | CCOC(=O)C1=CC=NNC1=O |
InChI: | InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-4-8-9-6(5)10/h3-4H,2H2,1H3,(H,9,10) |
InChI Key: | IIAVVOGGKSJORS-UHFFFAOYSA-N |
Boiling Point: | 321.83 °C at 760 mmHg |
Density: | 1.306 g/cm3 |
Appearance: | Solid |
LogP: | -0.05340 |
Publication Number | Title | Priority Date |
JP-2019533689-A | Herbicidal pyridazinone compounds | 20161028 |
US-2013225642-A1 | Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis | 20100902 |
WO-2012029994-A1 | Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis | 20100902 |
AU-2008231873-A1 | Aza-pyridopyrimidinone derivatives | 20070323 |
AU-2008231873-B2 | Aza-pyridopyrimidinone derivatives | 20070323 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05349212 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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