Home Nitriles 3-(quinolin-8-yl)prop-2-enenitrile

3-(quinolin-8-yl)prop-2-enenitrile

CAS No.:
1251493-43-2
Catalog Number:
AG01A64H
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
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Product Description
Catalog Number:
AG01A64H
Chemical Name:
3-(quinolin-8-yl)prop-2-enenitrile
CAS Number:
1251493-43-2
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
MDL Number:
MFCD16083103
IUPAC Name:
(E)-3-quinolin-8-ylprop-2-enenitrile
InChI:
InChI=1S/C12H8N2/c13-8-2-6-10-4-1-5-11-7-3-9-14-12(10)11/h1-7,9H/b6-2+
InChI Key:
VOGVEZANNHPZEJ-QHHAFSJGSA-N
SMILES:
N#CC=Cc1cccc2c1nccc2
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
180.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.21g/mol
Monoisotopic Mass:
180.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties