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855165-21-8 | 4-Quinolinecarbonitrile,2-(1-methylethoxy)-
CAS No: 855165-21-8 Catalog No: AG004JBN MDL No:
Product Description
Catalog Number:
AG004JBN
Chemical Name:
4-Quinolinecarbonitrile,2-(1-methylethoxy)-
CAS Number:
855165-21-8
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
2-propan-2-yloxyquinoline-4-carbonitrile
InChI:
InChI=1S/C13H12N2O/c1-9(2)16-13-7-10(8-14)11-5-3-4-6-12(11)15-13/h3-7,9H,1-2H3
InChI Key:
HMLSROFICROWOJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(OC(C)C)nc2c1cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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