2-Acetyl-5-methylpyridine - CAS 5308-63-4
Catalog: |
BB028043 |
Product Name: |
2-Acetyl-5-methylpyridine |
CAS: |
5308-63-4 |
Synonyms: |
1-(5-methyl-2-pyridinyl)ethanone; 1-(5-methylpyridin-2-yl)ethanone |
IUPAC Name: | 1-(5-methylpyridin-2-yl)ethanone |
Description: | 2-Acetyl-5-methylpyridine (CAS# 5308-63-4) is a useful research chemical. |
Molecular Weight: | 135.16 |
Molecular Formula: | C8H9NO |
Canonical SMILES: | CC1=CN=C(C=C1)C(=O)C |
InChI: | InChI=1S/C8H9NO/c1-6-3-4-8(7(2)10)9-5-6/h3-5H,1-2H3 |
InChI Key: | SBFBKLLKNHMBOH-UHFFFAOYSA-N |
Boiling Point: | 217.1 ℃ at 760 mmHg |
Density: | 1.036 g/cm3 |
Solubility: | 1.151e+004 mg/L at 25 °C (est) |
LogP: | 1.59260 |
Publication Number | Title | Priority Date |
WO-2021097139-A1 | Chiral synthesis of a tertiary alcohol | 20191115 |
CN-110423234-A | Thiosemicarbazone derivative of the segment containing indoles and its preparation method and application | 20190815 |
CN-110423234-B | Thiosemicarbazone derivative containing indole fragment and preparation method and application thereof | 20190815 |
CN-109942476-B | Aromatic heterocyclic compound containing thiosemicarbazone structural unit and preparation method and application thereof | 20190419 |
EP-3556756-A1 | Substituted propanamides as inhibitors of nucleases | 20180417 |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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