3-Oxo-2,3-dihydropyridazine-4-carboxylic Acid - CAS 54404-06-7
Catalog: |
BB028644 |
Product Name: |
3-Oxo-2,3-dihydropyridazine-4-carboxylic Acid |
CAS: |
54404-06-7 |
Synonyms: |
6-oxo-1H-pyridazine-5-carboxylic acid; 6-oxo-1H-pyridazine-5-carboxylic acid |
IUPAC Name: | 6-oxo-1H-pyridazine-5-carboxylic acid |
Description: | 3-Oxo-2,3-dihydropyridazine-4-carboxylic Acid (CAS# 54404-06-7) is a useful research chemical. |
Molecular Weight: | 140.10 |
Molecular Formula: | C5H4N2O3 |
Canonical SMILES: | C1=C(C(=O)NN=C1)C(=O)O |
InChI: | InChI=1S/C5H4N2O3/c8-4-3(5(9)10)1-2-6-7-4/h1-2H,(H,7,8)(H,9,10) |
InChI Key: | AZNSKHLQNCKBHC-UHFFFAOYSA-N |
Boiling Point: | 451.2 °C at 760 mmHg |
Density: | 1.636 g/cm3 |
MDL: | MFCD06447027 |
LogP: | -0.53190 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021197276-A1 | Amide compounds and uses thereof | 20200330 |
WO-2019245910-A1 | Triazine compounds and uses thereof | 20180622 |
EP-3810600-A1 | Triazine compounds and uses thereof | 20180622 |
US-2021246122-A1 | Triazine Compounds and Uses Thereof | 20180622 |
WO-2019101643-A1 | 3-oxo-6-heteroaryl-2-phenyl-2,3-dihydropyridazine-4-carboxamides | 20171121 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.02219199 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.02219199 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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