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14003-46-4 | 4-Quinolineacetonitrile
CAS No: 14003-46-4 Catalog No: AG001BYP MDL No:
Product Description
Catalog Number:
AG001BYP
Chemical Name:
4-Quinolineacetonitrile
CAS Number:
14003-46-4
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
2-quinolin-4-ylacetonitrile
InChI:
InChI=1S/C11H8N2/c12-7-5-9-6-8-13-11-4-2-1-3-10(9)11/h1-4,6,8H,5H2
InChI Key:
CKTDILDXLGTRNG-UHFFFAOYSA-N
SMILES:
N#CCc1ccnc2c1cccc2
NSC Number:
85366
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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