6-Hydroxy-5-methoxynicotinic acid - CAS 1171919-98-4
Catalog: |
BB003870 |
Product Name: |
6-Hydroxy-5-methoxynicotinic acid |
CAS: |
1171919-98-4 |
Synonyms: |
5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid |
IUPAC Name: | 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid |
Description: | 6-Hydroxy-5-methoxynicotinic acid (CAS# 1171919-98-4) is a useful research chemical. |
Molecular Weight: | 169.13 |
Molecular Formula: | C7H7NO4 |
Canonical SMILES: | COC1=CC(=CNC1=O)C(=O)O |
InChI: | InChI=1S/C7H7NO4/c1-12-5-2-4(7(10)11)3-8-6(5)9/h2-3H,1H3,(H,8,9)(H,10,11) |
InChI Key: | ZITCWCFJHLJFOA-UHFFFAOYSA-N |
MDL: | MFCD12401649 |
LogP: | 0.49400 |
GHS Hazard Statement: | H302 (100%): 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 |
Publication Number | Title | Priority Date |
WO-2021071806-A1 | Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
JP-WO2015125892-A1 | Protein labeling compounds | 20140219 |
WO-2015125892-A1 | Protein labeling compound | 20140219 |
TW-201350491-A | Bicyclic compound | 20120529 |
CA-2853221-A1 | Bicyclic compound | 20111024 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.03750770 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.03750770 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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