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7467-33-6

7467-33-6 | 5,6-QUINOLINEDIONE

CAS No: 7467-33-6 Catalog No: AG005A6H MDL No:

Product Description

Catalog Number:
AG005A6H
Chemical Name:
5,6-QUINOLINEDIONE
CAS Number:
7467-33-6
Molecular Formula:
C9H5NO2
Molecular Weight:
159.1415
IUPAC Name:
quinoline-5,6-dione
InChI:
InChI=1S/C9H5NO2/c11-8-4-3-7-6(9(8)12)2-1-5-10-7/h1-5H
InChI Key:
YLSMOFSAPNMDOC-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C=Cc2c1cccn2
NSC Number:
400944

Properties

Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.032g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.144g/mol
Monoisotopic Mass:
159.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Literature

Title Journal
Ammosamide D, an oxidatively ring opened ammosamide analog from a marine-derived Streptomyces variabilis. Organic letters 20120504

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