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14554-09-7 | 1,4-Naphthalenedione, 5,8-dihydroxy-2-methyl-
CAS No: 14554-09-7 Catalog No: AG001D6M MDL No:
Product Description
Catalog Number:
AG001D6M
Chemical Name:
1,4-Naphthalenedione, 5,8-dihydroxy-2-methyl-
CAS Number:
14554-09-7
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
IUPAC Name:
5,8-dihydroxy-2-methylnaphthalene-1,4-dione
InChI:
InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3
InChI Key:
YKPXIWHBRBFRQM-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)c2c(C1=O)c(O)ccc2O
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.181g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Comparison of the cytotoxic activities of naturally occurring hydroxyanthraquinones and hydroxynaphthoquinones. | European journal of medicinal chemistry 20080601 |
| Naphthazarin and methylnaphthazarin cause vascular dysfunction by impairment of endothelium-derived nitric oxide and increased superoxide anion generation. | Toxicology in vitro : an international journal published in association with BIBRA 20060201 |
| Design, synthesis and evaluation of novel 1,4-naphthoquinone derivatives as antifungal and anticancer agents. | Bioorganic & medicinal chemistry letters 20040308 |
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