1-Methyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid - CAS 33972-97-3
Catalog: |
BB021917 |
Product Name: |
1-Methyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid |
CAS: |
33972-97-3 |
Synonyms: |
1-methyl-2-oxopyridine-4-carboxylic acid |
IUPAC Name: | 1-methyl-2-oxopyridine-4-carboxylic acid |
Description: | 1-Methyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid (CAS# 33972-97-3) is a useful research chemical. |
Molecular Weight: | 153.14 |
Molecular Formula: | C7H7NO3 |
Canonical SMILES: | CN1C=CC(=CC1=O)C(=O)O |
InChI: | InChI=1S/C7H7NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h2-4H,1H3,(H,10,11) |
InChI Key: | XUKWOJNDLIOXSC-UHFFFAOYSA-N |
Boiling Point: | 329.6 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.381 g/cm3 |
MDL: | MFCD03701415 |
LogP: | 0.08350 |
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 |
US-2020055874-A1 | INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION | 20180820 |
WO-2020041169-A2 | Inhibitors of keap1-nrf2 protein-protein interaction | 20180820 |
US-10947252-B2 | Inhibitors of KEAP1-Nrf2 protein-protein interaction | 20180820 |
EP-3833662-A2 | Inhibitors of keap1-nrf2 protein-protein interaction | 20180820 |
TW-201927770-A | Substituted pyrrolidinium I | 20171218 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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Pyridines
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