Indazole-3-carboxylic acid - CAS 4498-67-3
Catalog: |
BB025743 |
Product Name: |
Indazole-3-carboxylic acid |
CAS: |
4498-67-3 |
Synonyms: |
1H-indazole-3-carboxylic acid |
IUPAC Name: | 1H-indazole-3-carboxylic acid |
Description: | Indazole-3-carboxylic acid (CAS# 4498-67-3) is an indole derivatives useful in treatment of pain and inflammation. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=NN2)C(=O)O |
InChI: | InChI=1S/C8H6N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)(H,11,12) |
InChI Key: | BHXVYTQDWMQVBI-UHFFFAOYSA-N |
Boiling Point: | 443.7 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.506 g/cm3 |
MDL: | MFCD00211066 |
LogP: | 1.26110 |
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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23093288 | 20121207 | Hysteretic carbon dioxide sorption in a novel copper(II)-indazole-carboxylate porous coordination polymer | Chemical communications (Cambridge, England) |
22189135 | 20120115 | High-affinity fluorescent ligands for the 5-HT(3) receptor | Bioorganic & medicinal chemistry letters |
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21487535 | 20110215 | Stereocomplexes Formed From Select Oligomers of Polymer d-lactic Acid (PDLA) and l-lactate May Inhibit Growth of Cancer Cells and Help Diagnose Aggressive Cancers-Applications of the Warburg Effect | Perspectives in medicinal chemistry |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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