Home Quinolines 33021-53-3
33021-53-3,MFCD00030698
Catalog No.:AA003IQR
33021-53-3 | 3-Acetylquinoline
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Purity
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Price(USD)
Quantity
  
1g
97%
1 week  
$177.00   $124.00
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5g
97%
1 week  
$415.00   $290.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IQR
Chemical Name:
3-Acetylquinoline
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
Computed 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  

Synonyms
 
3-Acetylquinoline 
1-(quinolin-3-yl)ethanone 
AC1NRYRH 
1-Quinolin-3-yl-ethanone 
SCHEMBL530761 
1-(quinolin-3-yl)ethan-1-one 
CTK1B8795 
DTXSID20416028 
VMZYRGLKJCRGST-UHFFFAOYSA-N 
KS-00000C2H 
ANW-60694 
ZINC26441093 
33021-53-3 
AKOS010146924 
RP02666 
TRA0099499 
AJ-82329 
AS-41369 
CJ-17462 
SC-30991 
SY011820 
AB0041045 
DB-068740 
1-quinolin-3-ylethanone 
TC-149439 
A5900 
FT-0719022 
Y8740 
Z-4133 
MFCD00030698 (97+%) 
I08-0497 
J-503629 
(S)-1-(4-CYANOPHENYL)ETHANAMINE(Hydrochloride form) 
F8889-9327 
Methyl quinolinyl ketone 
InChI=1/C11H9NO/c1-8(13)10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H 
C11H9NO 
(S)-1-(4-Cyanophenyl)ethanamine 
CID5325612 
36244-70-9 
Ethanone, 1-(3-quinolinyl)- 
MFCD00030698 
1-(3-quinolinyl)Ethanone 
3-quinolylethanone 
3-Acetyl-chinolin 
Literature

Title: 3-Acetyl-6-chloro-1-ethyl-4-phenyl-quinolin-2(1H)-one.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

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