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33021-53-3 | 1-(Quinolin-3-yl);ethanone
CAS No: 33021-53-3 Catalog No: AG003ITJ MDL No:MFCD00030698
Product Description
Catalog Number:
AG003ITJ
Chemical Name:
1-(Quinolin-3-yl);ethanone
CAS Number:
33021-53-3
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD00030698
IUPAC Name:
1-quinolin-3-ylethanone
InChI:
InChI=1S/C11H9NO/c1-8(13)10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H3
InChI Key:
VMZYRGLKJCRGST-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc2c(c1)cccc2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| 3-Acetyl-6-chloro-1-ethyl-4-phenyl-quinolin-2(1H)-one. | Acta crystallographica. Section E, Structure reports online 20090801 |
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