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88757-26-0 | Propanenitrile, 3-(8-quinolinyloxy)-
CAS No: 88757-26-0 Catalog No: AG004F4T MDL No:
Product Description
Catalog Number:
AG004F4T
Chemical Name:
Propanenitrile, 3-(8-quinolinyloxy)-
CAS Number:
88757-26-0
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
3-quinolin-8-yloxypropanenitrile
InChI:
InChI=1S/C12H10N2O/c13-7-3-9-15-11-6-1-4-10-5-2-8-14-12(10)11/h1-2,4-6,8H,3,9H2
InChI Key:
SOOODXKZMQDMRB-UHFFFAOYSA-N
SMILES:
N#CCCOc1cccc2c1nccc2
Properties
Complexity:
245
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:
3
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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