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Home Nitriles 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

CAS No.:
106551-67-1
Catalog Number:
AG009OKA
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG009OKA
Chemical Name:
2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
106551-67-1
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00585099
IUPAC Name:
2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C10H8N2O2/c11-5-6-4-7-8(12-10(6)14)2-1-3-9(7)13/h4H,1-3H2,(H,12,14)
InChI Key:
GSAHGZPXIFULGM-UHFFFAOYSA-N
SMILES:
N#Cc1cc2C(=O)CCCc2[nH]c1=O
Properties
Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Rapid three-step one-pot microwave-assisted synthesis of 2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarbonitrile library. Journal of combinatorial chemistry 20090101
Properties