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88757-30-6 | Propanenitrile, 2-[(2-methyl-8-quinolinyl)oxy]-
CAS No: 88757-30-6 Catalog No: AG004DC6 MDL No:
Product Description
Catalog Number:
AG004DC6
Chemical Name:
Propanenitrile, 2-[(2-methyl-8-quinolinyl)oxy]-
CAS Number:
88757-30-6
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
2-(2-methylquinolin-8-yl)oxypropanenitrile
InChI:
InChI=1S/C13H12N2O/c1-9-6-7-11-4-3-5-12(13(11)15-9)16-10(2)8-14/h3-7,10H,1-2H3
InChI Key:
NWNXUCSDTJTMNN-UHFFFAOYSA-N
SMILES:
N#CC(Oc1cccc2c1nc(C)cc2)C
Properties
Complexity:
283
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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