3-Acetyl-2,6-lutidine - CAS 1721-25-1
Catalog: |
BB075447 |
Product Name: |
3-Acetyl-2,6-lutidine |
CAS: |
1721-25-1 |
Synonyms: |
1-(2,6-DIMETHYLPYRIDIN-3-YL)ETHANONE; 1-(2,6-dimethylpyridin-3-yl)ethan-1-one; 2,6-Dimethyl-3-acetylpyridine; Ethanone, 1-(2,6-dimethyl-3-pyridinyl)- (9CI) |
IUPAC Name: | 1-(2,6-dimethylpyridin-3-yl)ethanone |
Molecular Weight: | 149.19 |
Molecular Formula: | C9H11NO |
Canonical SMILES: | CC1=NC(=C(C=C1)C(=O)C)C |
InChI: | InChI=1S/C9H11NO/c1-6-4-5-9(8(3)11)7(2)10-6/h4-5H,1-3H3 |
InChI Key: | QICFGQJIWDJROU-UHFFFAOYSA-N |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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