Quinoxaline-6-carboxylic acid - CAS 6925-00-4
Catalog: |
BB033750 |
Product Name: |
Quinoxaline-6-carboxylic acid |
CAS: |
6925-00-4 |
Synonyms: |
6-Quinoxalinecarboxylic acid |
IUPAC Name: | quinoxaline-6-carboxylic acid |
Molecular Weight: | 174.16 |
Molecular Formula: | C9H6N2O2 |
Canonical SMILES: | C1=CC2=NC=CN=C2C=C1C(=O)O |
InChI: | InChI=1S/C9H6N2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,(H,12,13) |
InChI Key: | JGQDBVXRYDEWGM-UHFFFAOYSA-N |
Boiling Point: | 355.1±27.0°C at 760 mmHg |
Melting Point: | 224-229°C |
Purity: | 95% |
Density: | 1.421±0.06 g/cm3 |
Appearance: | Tan solid |
Storage: | Store at 2-8°C |
MDL: | MFCD01365834 |
LogP: | 1.32800 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021188907-A1 | Pyridinesulfonamide derivatives as trap1 modulators and uses thereof | 20200320 |
WO-2021151062-A1 | Heterocyclic compounds and uses thereof | 20200124 |
WO-2021127166-A1 | Inhibitors of enl/af9 yeats | 20191217 |
CN-110835321-A | Triketone compound containing quinoxaline structure, preparation method and application thereof | 20191128 |
CN-110835321-B | Triketone compound containing quinoxaline structure, preparation method and application thereof | 20191128 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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