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Home > Other Building Blocks > 872360-76-4
872360-76-4 | 9,10-Anthracenedione, 1,3-dihydroxy-5,6-dimethoxy-2-methyl-
CAS No: 872360-76-4 Catalog No: AG004MN8 MDL No:
Product Description
Catalog Number:
AG004MN8
Chemical Name:
9,10-Anthracenedione, 1,3-dihydroxy-5,6-dimethoxy-2-methyl-
CAS Number:
872360-76-4
Molecular Formula:
C17H14O6
Molecular Weight:
314.2895
IUPAC Name:
1,3-dihydroxy-5,6-dimethoxy-2-methylanthracene-9,10-dione
InChI:
InChI=1S/C17H14O6/c1-7-10(18)6-9-12(14(7)19)15(20)8-4-5-11(22-2)17(23-3)13(8)16(9)21/h4-6,18-19H,1-3H3
InChI Key:
IOZZOJXKYOIYGA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC)C(=O)c1c(C2=O)c(O)c(c(c1)O)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.293g/mol
Monoisotopic Mass:
314.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Anthraquinones from the roots of Prismatomeris malayana. | Natural product research 20080101 |
| Biological activity of Anthraquinones and Triterpenoids from Prismatomeris fragrans. | Journal of ethnopharmacology 20050914 |
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