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88757-28-2 | Acetonitrile, [(5-methyl-8-quinolinyl)oxy]-
CAS No: 88757-28-2 Catalog No: AG004DC7 MDL No:
Product Description
Catalog Number:
AG004DC7
Chemical Name:
Acetonitrile, [(5-methyl-8-quinolinyl)oxy]-
CAS Number:
88757-28-2
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
2-(5-methylquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C12H10N2O/c1-9-4-5-11(15-8-6-13)12-10(9)3-2-7-14-12/h2-5,7H,8H2,1H3
InChI Key:
FPQYNMIPHSIVOX-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(c2c1nccc2)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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