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103854-56-4

103854-56-4 | Ketone, methyl 5-quinolyl (6CI)

CAS No: 103854-56-4 Catalog No: AG008UB4 MDL No:MFCD09754106

Product Description

Catalog Number:
AG008UB4
Chemical Name:
Ketone, methyl 5-quinolyl (6CI)
CAS Number:
103854-56-4
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD09754106
IUPAC Name:
1-quinolin-5-ylethanone
InChI:
InChI=1S/C11H9NO/c1-8(13)9-4-2-6-11-10(9)5-3-7-12-11/h2-7H,1H3
InChI Key:
YSGOYTDRBSUDIA-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc2c1cccn2

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:
2.3  

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