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3736-59-2 | 2-Anthracenecarboxaldehyde,9,10-dihydro-1,3-dihydroxy-9,10-dioxo-
CAS No: 3736-59-2 Catalog No: AG0079WZ MDL No:
Product Description
Catalog Number:
AG0079WZ
Chemical Name:
2-Anthracenecarboxaldehyde,9,10-dihydro-1,3-dihydroxy-9,10-dioxo-
CAS Number:
3736-59-2
Molecular Formula:
C15H8O5
Molecular Weight:
268.2210
IUPAC Name:
1,3-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde
InChI:
InChI=1S/C15H8O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-6,17,20H
InChI Key:
NSGZEHPFOUCUHD-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.037g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.224g/mol
Monoisotopic Mass:
268.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Anthraquinones with antiplasmodial activity from the roots of Rennellia elliptica Korth. (Rubiaceae). | Molecules (Basel, Switzerland) 20101020 |
| A new anthraquinone from Morinda citrifolia roots. | Natural product research 20090101 |
| Anthraquinones from the roots of Prismatomeris malayana. | Natural product research 20080101 |
| Antifeedant activity of an anthraquinone aldehyde in Galium aparine L. against Spodoptera litura F. | Phytochemistry 20020501 |
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