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14428-41-2 | Ethanone, 1-(2,4-dimethyl-3-quinolinyl)-
CAS No: 14428-41-2 Catalog No: AG001J8H MDL No:MFCD06364034
Product Description
Catalog Number:
AG001J8H
Chemical Name:
Ethanone, 1-(2,4-dimethyl-3-quinolinyl)-
CAS Number:
14428-41-2
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
MDL Number:
MFCD06364034
IUPAC Name:
1-(2,4-dimethylquinolin-3-yl)ethanone
InChI:
InChI=1S/C13H13NO/c1-8-11-6-4-5-7-12(11)14-9(2)13(8)10(3)15/h4-7H,1-3H3
InChI Key:
HCAMYKCBRHBKKF-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)nc2c(c1C)cccc2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| (E)-1-(2,4-Dimethyl-quinolin-3-yl)-3-(4-methyl-phen-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20120501 |
| (2E)-1-(2,4-Dimethyl-quinolin-3-yl)-3-(thio-phen-2-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20110901 |
| (2E)-3-(4-Chloro-phen-yl)-1-(2,4-dimethyl-quinolin-3-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20110401 |
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