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920491-96-9

920491-96-9 | 2-Pentanone, 5-(8-quinolinyl)-

CAS No: 920491-96-9 Catalog No: AG006EJS MDL No:

Product Description

Catalog Number:
AG006EJS
Chemical Name:
2-Pentanone, 5-(8-quinolinyl)-
CAS Number:
920491-96-9
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
IUPAC Name:
5-quinolin-8-ylpentan-2-one
InChI:
InChI=1S/C14H15NO/c1-11(16)5-2-6-12-7-3-8-13-9-4-10-15-14(12)13/h3-4,7-10H,2,5-6H2,1H3
InChI Key:
OZAWHYUVWYCYTH-UHFFFAOYSA-N
SMILES:
CC(=O)CCCc1cccc2c1nccc2

Properties

Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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