3,5-Pyrazoledicarboxylic acid monohydrate - CAS 303180-11-2
Catalog: |
BB020547 |
Product Name: |
3,5-Pyrazoledicarboxylic acid monohydrate |
CAS: |
303180-11-2 |
Synonyms: |
1H-pyrazole-3,5-dicarboxylic acid;hydrate |
IUPAC Name: | 1H-pyrazole-3,5-dicarboxylic acid;hydrate |
Description: | 3,5-Pyrazoledicarboxylic acid monohydrate (CAS# 303180-11-2) is a useful research chemical. |
Molecular Weight: | 174.11 |
Molecular Formula: | C5H4N2O4 · H2O |
Canonical SMILES: | C1=C(NN=C1C(=O)O)C(=O)O.O |
InChI: | InChI=1S/C5H4N2O4.H2O/c8-4(9)2-1-3(5(10)11)7-6-2;/h1H,(H,6,7)(H,8,9)(H,10,11);1H2 |
InChI Key: | GLINCONFUZIMCN-UHFFFAOYSA-N |
Boiling Point: | 614.4 ℃ at 760 mmHg |
Melting Point: | 292-295 ℃ (dec.)(lit.) |
Purity: | 95 % |
Density: | 1.814 g/cm3 |
MDL: | MFCD00149323 |
LogP: | -0.25820 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021200276-A1 | Curable resin composition and display device | 20200331 |
WO-2021200277-A1 | Curable resin composition and display device | 20200331 |
WO-2021200278-A1 | Curable resin composition and display device | 20200331 |
US-2021055010-A1 | Method and system for dehumidification and atmospheric water extraction with minimal energy consumption | 20190816 |
CN-109369617-B | Synthesis method of 1- (2-pyridyl) -pyrazole-3-formic acid and derivatives thereof | 20181213 |
PMID | Publication Date | Title | Journal |
22917519 | 20120915 | Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C) | Bioorganic & medicinal chemistry letters |
12767185 | 20030602 | Antiferromagnetic three-dimensional order induced by carboxylate bridges in a two-dimensional network of [Cu3(dcp)2(H2O)4] trimers | Inorganic chemistry |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.02767130 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.02767130 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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