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103983-94-4 | 6-Quinolineacetonitrile
CAS No: 103983-94-4 Catalog No: AG007WV3 MDL No:
Product Description
Catalog Number:
AG007WV3
Chemical Name:
6-Quinolineacetonitrile
CAS Number:
103983-94-4
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
2-quinolin-6-ylacetonitrile
InChI:
InChI=1S/C11H8N2/c12-6-5-9-3-4-11-10(8-9)2-1-7-13-11/h1-4,7-8H,5H2
InChI Key:
SGSMUSDVKCMDGR-UHFFFAOYSA-N
SMILES:
N#CCc1ccc2c(c1)cccn2
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:
1.9
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