sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 1-Methyl-2-oxo-1,2-dihydroquinoline-4-carbonitrile

1-Methyl-2-oxo-1,2-dihydroquinoline-4-carbonitrile

CAS No.:
56062-93-2
Catalog Number:
AG00DD1B
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00DD1B
Chemical Name:
1-Methyl-2-oxo-1,2-dihydroquinoline-4-carbonitrile
CAS Number:
56062-93-2
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD12197073
IUPAC Name:
1-methyl-2-oxoquinoline-4-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-13-10-5-3-2-4-9(10)8(7-12)6-11(13)14/h2-6H,1H3
InChI Key:
TWZZVKCOABHZHX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(=O)n(c2c1cccc2)C
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
[Reaction of pyridinium and quinolinium salts having the leaving group at the 2- or 4-position with active methylene compounds]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20060201
Properties