Pyridazine-4,5-dicarboxylic Acid - CAS 59648-14-5
Catalog: |
BB030445 |
Product Name: |
Pyridazine-4,5-dicarboxylic Acid |
CAS: |
59648-14-5 |
Synonyms: |
pyridazine-4,5-dicarboxylic acid; pyridazine-4,5-dicarboxylic acid |
IUPAC Name: | pyridazine-4,5-dicarboxylic acid |
Description: | Pyridazine-4,5-dicarboxylic Acid (CAS# 59648-14-5) is a useful research chemical. |
Molecular Weight: | 168.11 |
Molecular Formula: | C6H4N2O4 |
Canonical SMILES: | C1=C(C(=CN=N1)C(=O)O)C(=O)O |
InChI: | InChI=1S/C6H4N2O4/c9-5(10)3-1-7-8-2-4(3)6(11)12/h1-2H,(H,9,10)(H,11,12) |
InChI Key: | YRTBTTMXMPXJBB-UHFFFAOYSA-N |
Boiling Point: | 539.4 °C at 760 mmHg |
Density: | 1.665 g/cm3 |
MDL: | MFCD06742784 |
LogP: | -0.12700 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21587430 | 20100925 | 4-(4-Pyrid-yl)pyridinium penta-aqua(pyridazine-4,5-dicarboxyl-ato)praseodymate(III) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.01710661 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.01710661 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 100 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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