1-Methylindazole-3-carboxylic acid - CAS 50890-83-0
Catalog: |
BB027247 |
Product Name: |
1-Methylindazole-3-carboxylic acid |
CAS: |
50890-83-0 |
Synonyms: |
1-methylindazole-3-carboxylic acid |
IUPAC Name: | 1-methylindazole-3-carboxylic acid |
Description: | Granisetron Impurity D. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | CN1C2=CC=CC=C2C(=N1)C(=O)O |
InChI: | InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H,1H3,(H,12,13) |
InChI Key: | OVVDFORZEGKEJM-UHFFFAOYSA-N |
Boiling Point: | 383.7 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.35 g/cm3 |
Appearance: | White to off-white to yellow powder |
MDL: | MFCD00272569 |
LogP: | 1.27150 |
GHS Hazard Statement: | H302 (86.67%): 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 |
22165009 | 20110901 | Development and application of a validated stability-indicating high-performance liquid chromatographic method using photodiode array detection for simultaneous determination of granisetron, methylparaben, propylparaben, sodium benzoate, and their main degradation products in oral pharmaceutical preparations | Journal of AOAC International |
20685455 | 20100630 | Development and application of a validated stability-indicating HPLC method for simultaneous determination of granisetron hydrochloride, benzyl alcohol and their main degradation products in parenteral dosage forms | Talanta |
21581238 | 20081108 | 1-Methyl-1H-indazole-3-carboxylic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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