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21640-33-5 | 2-METHYL-ISOQUINOLINE-1,3,4-TRIONE
CAS No: 21640-33-5 Catalog No: AG00BCC9 MDL No:
Product Description
Catalog Number:
AG00BCC9
Chemical Name:
2-METHYL-ISOQUINOLINE-1,3,4-TRIONE
CAS Number:
21640-33-5
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
IUPAC Name:
2-methylisoquinoline-1,3,4-trione
InChI:
InChI=1S/C10H7NO3/c1-11-9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5H,1H3
InChI Key:
LSVJISCDJHIYOW-UHFFFAOYSA-N
SMILES:
CN1C(=O)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione. | Organic & biomolecular chemistry 20120514 |
| Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors. | Journal of medicinal chemistry 20060309 |
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