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50-46-4 | 5,8-Dihydroisoquinoline-5,8-dione
CAS No: 50-46-4 Catalog No: AG00DUAA MDL No:
Product Description
Catalog Number:
AG00DUAA
Chemical Name:
5,8-Dihydroisoquinoline-5,8-dione
CAS Number:
50-46-4
IUPAC Name:
isoquinoline-5,8-dione
InChI:
InChI=1S/C9H5NO2/c11-8-1-2-9(12)7-5-10-4-3-6(7)8/h1-5H
InChI Key:
CUPFSRUOCULQSY-UHFFFAOYSA-N
NSC Number:
76882
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:
0.4
Literature
| Title | Journal |
|---|---|
| Structure-activity delineation of quinones related to the biologically active Calothrixin B. | Bioorganic & medicinal chemistry letters 20070101 |
| Synthesis and cytotoxic evaluation of analogues of the marine pyridoacridine amphimedine. | Bioorganic & medicinal chemistry 20020901 |
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