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21718-94-5 | 2,4-Diacetylquinoline
CAS No: 21718-94-5 Catalog No: AG00JL7K MDL No:MFCD09864884
Product Description
Catalog Number:
AG00JL7K
Chemical Name:
2,4-Diacetylquinoline
CAS Number:
21718-94-5
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD09864884
IUPAC Name:
1-(2-acetylquinolin-4-yl)ethanone
InChI:
InChI=1S/C13H11NO2/c1-8(15)11-7-13(9(2)16)14-12-6-4-3-5-10(11)12/h3-7H,1-2H3
InChI Key:
KUOROUHDUSCUJI-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(nc2c1cccc2)C(=O)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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