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88757-27-1 | Acetonitrile, [(4-methyl-8-quinolinyl)oxy]-
CAS No: 88757-27-1 Catalog No: AG004DC8 MDL No:
Product Description
Catalog Number:
AG004DC8
Chemical Name:
Acetonitrile, [(4-methyl-8-quinolinyl)oxy]-
CAS Number:
88757-27-1
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
2-(4-methylquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C12H10N2O/c1-9-5-7-14-12-10(9)3-2-4-11(12)15-8-6-13/h2-5,7H,8H2,1H3
InChI Key:
IXAIBYHIYVTZJU-UHFFFAOYSA-N
SMILES:
N#CCOc1cccc2c1nccc2C
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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