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38973-41-0 | 1,3,4(2H)-Isoquinolinetrione, 6,7-dimethoxy-2-methyl-
CAS No: 38973-41-0 Catalog No: AG00772Z MDL No:
Product Description
Catalog Number:
AG00772Z
Chemical Name:
1,3,4(2H)-Isoquinolinetrione, 6,7-dimethoxy-2-methyl-
CAS Number:
38973-41-0
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
IUPAC Name:
6,7-dimethoxy-2-methylisoquinoline-1,3,4-trione
InChI:
InChI=1S/C12H11NO5/c1-13-11(15)7-5-9(18-3)8(17-2)4-6(7)10(14)12(13)16/h4-5H,1-3H3
InChI Key:
AKOGVJUSAFGQRH-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)C(=O)N(C(=O)C2=O)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.222g/mol
Monoisotopic Mass:
249.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Isoquinoline and isoindole alkaloids from Menispermum dauricum. | Phytochemistry 20040401 |
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