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145-48-2 | 2-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-
CAS No: 145-48-2 Catalog No: AG001KFN MDL No:MFCD00019147
Product Description
Catalog Number:
AG001KFN
Chemical Name:
2-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-
CAS Number:
145-48-2
Molecular Formula:
C14H8O7S
Molecular Weight:
320.2741
MDL Number:
MFCD00019147
IUPAC Name:
1,4-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid
InChI:
InChI=1S/C14H8O7S/c15-8-5-9(22(19,20)21)14(18)11-10(8)12(16)6-3-1-2-4-7(6)13(11)17/h1-5,15,18H,(H,19,20,21)
InChI Key:
CCQSBGJULPBARL-UHFFFAOYSA-N
SMILES:
Oc1cc(c(c2c1C(=O)c1ccccc1C2=O)O)S(=O)(=O)O
EC Number:
205-654-2
UNII:
3SF26I984L
NSC Number:
111951
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.999g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.271g/mol
Monoisotopic Mass:
319.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Studies on the formation of a complex of Cu(II) with sodium 1,4-dihydroxy-9,10-anthraquinone-2-sulphonate - an analogue of the core unit of anthracycline anticancer drugs and its interaction with calf thymus DNA. | Journal of inorganic biochemistry 20091201 |
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