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73590-03-1 | Benz[g]isoquinoline-5,10-dione, 6-hydroxy-7,9-dimethoxy-3-methyl-
CAS No: 73590-03-1 Catalog No: AG008QMM MDL No:
Product Description
Catalog Number:
AG008QMM
Chemical Name:
Benz[g]isoquinoline-5,10-dione, 6-hydroxy-7,9-dimethoxy-3-methyl-
CAS Number:
73590-03-1
Molecular Formula:
C16H13NO5
Molecular Weight:
299.2781
IUPAC Name:
6-hydroxy-7,9-dimethoxy-3-methylbenzo[g]isoquinoline-5,10-dione
InChI:
InChI=1S/C16H13NO5/c1-7-4-8-9(6-17-7)15(19)12-10(21-2)5-11(22-3)16(20)13(12)14(8)18/h4-6,20H,1-3H3
InChI Key:
IVBXHDBKVLRPEJ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1O)C(=O)c1c(C2=O)cnc(c1)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.282g/mol
Monoisotopic Mass:
299.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Maximizing chemical diversity of fungal metabolites: biogenetically related Heptaketides of the endolichenic fungus Corynespora sp. (1). | Journal of natural products 20100625 |
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