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555155-04-9 | 2-(quinolin-5-yl)acetonitrile
CAS No: 555155-04-9 Catalog No: AG00E8B8 MDL No:
Product Description
Catalog Number:
AG00E8B8
Chemical Name:
2-(quinolin-5-yl)acetonitrile
CAS Number:
555155-04-9
IUPAC Name:
2-quinolin-5-ylacetonitrile
InChI:
InChI=1S/C11H8N2/c12-7-6-9-3-1-5-11-10(9)4-2-8-13-11/h1-5,8H,6H2
InChI Key:
RUAUQJWMZVLOKP-UHFFFAOYSA-N
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:
1.8
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