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Home > Nitro Compounds > 113719-50-9
113719-50-9 | 2-Anthracenesulfonic acid, 9,10-dihydro-1-hydroxy-4-nitro-9,10-dioxo-
CAS No: 113719-50-9 Catalog No: AG0009GH MDL No:
Product Description
Catalog Number:
AG0009GH
Chemical Name:
2-Anthracenesulfonic acid, 9,10-dihydro-1-hydroxy-4-nitro-9,10-dioxo-
CAS Number:
113719-50-9
Molecular Formula:
C14H7NO8S
Molecular Weight:
349.2723
IUPAC Name:
1-hydroxy-4-nitro-9,10-dioxoanthracene-2-sulfonic acid
InChI:
InChI=1S/C14H7NO8S/c16-12-6-3-1-2-4-7(6)13(17)11-10(12)8(15(19)20)5-9(14(11)18)24(21,22)23/h1-5,18H,(H,21,22,23)
InChI Key:
WGDDOHKIRZIYPA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(c2c1C(=O)c1ccccc1C2=O)O)S(=O)(=O)O
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.989g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.269g/mol
Monoisotopic Mass:
348.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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