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Home > Quinoline > 855165-26-3
855165-26-3 | 4-Quinolinecarbonitrile,2-(1-methylpropoxy)-
CAS No: 855165-26-3 Catalog No: AG004ROT MDL No:MFCD16878061
Product Description
Catalog Number:
AG004ROT
Chemical Name:
4-Quinolinecarbonitrile,2-(1-methylpropoxy)-
CAS Number:
855165-26-3
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
MDL Number:
MFCD16878061
IUPAC Name:
2-butan-2-yloxyquinoline-4-carbonitrile
InChI:
InChI=1S/C14H14N2O/c1-3-10(2)17-14-8-11(9-15)12-6-4-5-7-13(12)16-14/h4-8,10H,3H2,1-2H3
InChI Key:
VOXNLSKPWNPFTD-UHFFFAOYSA-N
SMILES:
CCC(Oc1nc2ccccc2c(c1)C#N)C
Properties
Complexity:
296
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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