α-Pyridoin - CAS 1141-06-6
Catalog: |
BB003298 |
Product Name: |
α-Pyridoin |
CAS: |
1141-06-6 |
Synonyms: |
2-hydroxy-1,2-dipyridin-2-ylethanone |
IUPAC Name: | 2-hydroxy-1,2-dipyridin-2-ylethanone |
Description: | α-Pyridoin (CAS# 1141-06-6) is a useful research chemical. |
Molecular Weight: | 214.22 |
Molecular Formula: | C12H10N2O2 |
Canonical SMILES: | C1=CC=NC(=C1)C(C(=O)C2=CC=CC=N2)O |
InChI: | InChI=1S/C12H10N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8,11,15H |
InChI Key: | ZKBDAJDDDOIASC-UHFFFAOYSA-N |
Boiling Point: | 387.6 °C at 760 mmHg |
Density: | 1.287 g/cm3 |
Appearance: | Orange solid |
MDL: | MFCD00010691 |
LogP: | 1.39290 |
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 |
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PMID | Publication Date | Title | Journal |
20165796 | 20100307 | Antioxidant activity of alpha-pyridoin and its derivatives: possible mechanism | Organic & biomolecular chemistry |
18790639 | 20081001 | 2,2'-Pyridoin derivatives protect HL-60 cells against oxidative stress | Bioorganic & medicinal chemistry letters |
16125390 | 20051215 | Preparation and antioxidant activity of alpha-pyridoin and its derivatives | Bioorganic & medicinal chemistry |
15575773 | 20041210 | Synthesis and characterization of highly conjugated, chiral bridging ligands | The Journal of organic chemistry |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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