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66819-06-5 | (QUINOLIN-8-YL)ACETONITRILE
CAS No: 66819-06-5 Catalog No: AG006QGM MDL No:MFCD08444426
Product Description
Catalog Number:
AG006QGM
Chemical Name:
(QUINOLIN-8-YL)ACETONITRILE
CAS Number:
66819-06-5
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
MDL Number:
MFCD08444426
IUPAC Name:
2-quinolin-8-ylacetonitrile
InChI:
InChI=1S/C11H8N2/c12-7-6-10-4-1-3-9-5-2-8-13-11(9)10/h1-5,8H,6H2
InChI Key:
FTWLTAJAZARGAF-UHFFFAOYSA-N
SMILES:
N#CCc1cccc2c1nccc2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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