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21863-57-0 | 2-(quinolin-3-yl)acetonitrile
CAS No: 21863-57-0 Catalog No: AG01ACZ7 MDL No:MFCD03412550
Product Description
Catalog Number:
AG01ACZ7
Chemical Name:
2-(quinolin-3-yl)acetonitrile
CAS Number:
21863-57-0
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
MDL Number:
MFCD03412550
IUPAC Name:
2-quinolin-3-ylacetonitrile
InChI:
InChI=1S/C11H8N2/c12-6-5-9-7-10-3-1-2-4-11(10)13-8-9/h1-4,7-8H,5H2
InChI Key:
AMNPNQPJCREQBE-UHFFFAOYSA-N
SMILES:
N#CCc1cnc2c(c1)cccc2
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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