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855165-23-0 | 4-Quinolinecarbonitrile,2-(2-methylpropoxy)-
CAS No: 855165-23-0 Catalog No: AG004ROU MDL No:
Product Description
Catalog Number:
AG004ROU
Chemical Name:
4-Quinolinecarbonitrile,2-(2-methylpropoxy)-
CAS Number:
855165-23-0
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
2-(2-methylpropoxy)quinoline-4-carbonitrile
InChI:
InChI=1S/C14H14N2O/c1-10(2)9-17-14-7-11(8-15)12-5-3-4-6-13(12)16-14/h3-7,10H,9H2,1-2H3
InChI Key:
RWAJGYWNYSGKPM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(OCC(C)C)nc2c1cccc2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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