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855165-25-2 | 4-Quinolinecarbonitrile,2-(1,1-dimethylethoxy)-
CAS No: 855165-25-2 Catalog No: AG004MQX MDL No:MFCD16878060
Product Description
Catalog Number:
AG004MQX
Chemical Name:
4-Quinolinecarbonitrile,2-(1,1-dimethylethoxy)-
CAS Number:
855165-25-2
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
MDL Number:
MFCD16878060
IUPAC Name:
2-[(2-methylpropan-2-yl)oxy]quinoline-4-carbonitrile
InChI:
InChI=1S/C14H14N2O/c1-14(2,3)17-13-8-10(9-15)11-6-4-5-7-12(11)16-13/h4-8H,1-3H3
InChI Key:
HSDGEWSPXIKGSM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(nc2c1cccc2)OC(C)(C)C
Properties
Complexity:
312
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:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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