5-Methoxy-1H-indazole-3-carboxylic Acid - CAS 90417-53-1
Catalog: |
BB039847 |
Product Name: |
5-Methoxy-1H-indazole-3-carboxylic Acid |
CAS: |
90417-53-1 |
Synonyms: |
5-methoxy-1H-indazole-3-carboxylic acid; 5-methoxy-1H-indazole-3-carboxylic acid |
IUPAC Name: | 5-methoxy-1H-indazole-3-carboxylic acid |
Description: | 5-Methoxy-1H-indazole-3-carboxylic Acid (CAS# 90417-53-1) is a useful research chemical. |
Molecular Weight: | 192.17 |
Molecular Formula: | C9H8N2O3 |
Canonical SMILES: | COC1=CC2=C(C=C1)NN=C2C(=O)O |
InChI: | InChI=1S/C9H8N2O3/c1-14-5-2-3-7-6(4-5)8(9(12)13)11-10-7/h2-4H,1H3,(H,10,11)(H,12,13) |
InChI Key: | RSERHJPLECECPR-UHFFFAOYSA-N |
Boiling Point: | 467.609 °C at 760 mmHg |
Density: | 1.46 g/cm3 |
Appearance: | Solid |
LogP: | 1.26970 |
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 |
EP-3535262-A1 | Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis b virus infection | 20161103 |
JP-2019533696-A | Novel tetrahydropyridopyrimidine for treatment and prevention of hepatitis B virus infection | 20161103 |
US-2020062747-A1 | Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis b virus infection | 20161103 |
WO-2018083106-A1 | Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis b virus infection | 20161103 |
EP-3535262-B1 | Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis b virus infection | 20161103 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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