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Home > Other Building Blocks > 877238-55-6
877238-55-6 | 9,10-Anthracenedione, 1,6-dihydroxy-5-methoxy-2-(methoxymethyl)-
CAS No: 877238-55-6 Catalog No: AG004JAJ MDL No:
Product Description
Catalog Number:
AG004JAJ
Chemical Name:
9,10-Anthracenedione, 1,6-dihydroxy-5-methoxy-2-(methoxymethyl)-
CAS Number:
877238-55-6
Molecular Formula:
C17H14O6
Molecular Weight:
314.2895
IUPAC Name:
1,6-dihydroxy-5-methoxy-2-(methoxymethyl)anthracene-9,10-dione
InChI:
InChI=1S/C17H14O6/c1-22-7-8-3-4-9-12(14(8)19)15(20)10-5-6-11(18)17(23-2)13(10)16(9)21/h3-6,18-19H,7H2,1-2H3
InChI Key:
KKHLOCIPXRSWKM-UHFFFAOYSA-N
SMILES:
COCc1ccc2c(c1O)C(=O)c1c(C2=O)c(OC)c(cc1)O
Properties
Complexity:
478
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:
3
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Lignans and anthraquinones from the fruits of Morinda citrifolia. | Natural product research 20071101 |
| Anti-inflammatory and potential cancer chemopreventive constituents of the fruits of Morinda citrifolia (Noni). | Journal of natural products 20070501 |
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