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88757-31-7 | Acetonitrile, [(5-ethyl-8-quinolinyl)oxy]-
CAS No: 88757-31-7 Catalog No: AG004DC5 MDL No:
Product Description
Catalog Number:
AG004DC5
Chemical Name:
Acetonitrile, [(5-ethyl-8-quinolinyl)oxy]-
CAS Number:
88757-31-7
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
2-(5-ethylquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C13H12N2O/c1-2-10-5-6-12(16-9-7-14)13-11(10)4-3-8-15-13/h3-6,8H,2,9H2,1H3
InChI Key:
LKVZCXXHTBKDCB-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(c2c1nccc2)CC
Properties
Complexity:
270
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:
3
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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