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Home > Quinoline > 114364-71-5
114364-71-5 | 2-Quinolinecarbonitrile, 1,2-dihydro-1-(2-methoxyacetyl)-
CAS No: 114364-71-5 Catalog No: AG000B6J MDL No:
Product Description
Catalog Number:
AG000B6J
Chemical Name:
2-Quinolinecarbonitrile, 1,2-dihydro-1-(2-methoxyacetyl)-
CAS Number:
114364-71-5
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
1-(2-methoxyacetyl)-2H-quinoline-2-carbonitrile
InChI:
InChI=1S/C13H12N2O2/c1-17-9-13(16)15-11(8-14)7-6-10-4-2-3-5-12(10)15/h2-7,11H,9H2,1H3
InChI Key:
BYPYMAVZCVNVNN-UHFFFAOYSA-N
SMILES:
COCC(=O)N1C(C#N)C=Cc2c1cccc2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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