3-Acetoxypyridine - CAS 17747-43-2
Catalog: |
BB013294 |
Product Name: |
3-Acetoxypyridine |
CAS: |
17747-43-2 |
Synonyms: |
pyridin-3-yl acetate |
IUPAC Name: | pyridin-3-yl acetate |
Description: | 3-Acetoxypyridine (CAS# 17747-43-2) is a useful research chemical. |
Molecular Weight: | 137.14 |
Molecular Formula: | C7H7NO2 |
Canonical SMILES: | CC(=O)OC1=CN=CC=C1 |
InChI: | InChI=1S/C7H7NO2/c1-6(9)10-7-3-2-4-8-5-7/h2-5H,1H3 |
InChI Key: | QZDWODWEESGPLC-UHFFFAOYSA-N |
Boiling Point: | 218.6 °C at 760 mmHg |
Density: | 1.141 g/mL at 25 °C (lit.) |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00006377 |
LogP: | 1.00690 |
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 |
CN-111848521-A | Preparation method of 2-substituted-4-alkoxy imidazole compound | 20200826 |
WO-2021061847-A1 | Methods of treatments to prolong gestation and complications of menstruation or gestation | 20190923 |
WO-2020208511-A1 | Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi | 20190408 |
TW-202039468-A | Heterocyclyl pyridazine as fungicidal compounds | 20181220 |
TW-202039444-A | Pyridazine (thio)amides as fungicidal compounds | 20181128 |
PMID | Publication Date | Title | Journal |
22058713 | 20111001 | Poly[trans-diaquabis-[μ(2)-2-(pyridin-3-yl)acetato-κN:O]-zinc] | Acta crystallographica. Section E, Structure reports online |
21084187 | 20110101 | Synthesis and antibacterial activity of novel 4-aryl-[1,2,3]-triazole containing macrolides | Bioorganic & medicinal chemistry letters |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.047678466 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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