5-Acetyl-2-methoxypyridine - CAS 213193-32-9
Catalog: |
BB016764 |
Product Name: |
5-Acetyl-2-methoxypyridine |
CAS: |
213193-32-9 |
Synonyms: |
1-(6-methoxypyridin-3-yl)ethanone |
IUPAC Name: | 1-(6-methoxypyridin-3-yl)ethanone |
Description: | 5-Acetyl-2-methoxypyridine (CAS# 213193-32-9) is a useful synthesis intermediate. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CC(=O)C1=CN=C(C=C1)OC |
InChI: | InChI=1S/C8H9NO2/c1-6(10)7-3-4-8(11-2)9-5-7/h3-5H,1-2H3 |
InChI Key: | RYOQZXOVBJIUSX-UHFFFAOYSA-N |
Boiling Point: | 269.503 °C at 760 mmHg |
Melting Point: | 53-57 °C |
Purity: | 95 % |
Density: | 1.094 g/cm3 |
Appearance: | White to yellow powder |
LogP: | 1.29280 |
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-2021230153-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
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Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
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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