chempirical

9,10-Dihydro-9,10-dioxo-1-anthracenesulfonic acid

C14H8O5SCAS 82-49-5288.27 g/mol

Open in Covalent MOL file
OOSOOOH
KetoneSulfonic acid

Properties

Molecular formula
C14H8O5S
Molar mass
288.27 g/mol
Exact mass
288.0092 Da
Melting point
210–211 °C
logP
1.71Crippen estimate
Polar surface area
88.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
82-49-5
SMILES
O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)O
InChIKey
JAJIPIAHCFBEPI-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O5S/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19/h1-7H,(H,17,18,19)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-
  • 1-Anthraquinonesulfonic acid
  • α-Anthraquinonesulfonic acid
  • 1-Sulfoanthraquinone
  • α-Sulfoanthraquinone
  • 9,10-Anthraquinone-1-sulfonic acid

Work with 9,10-Dihydro-9,10-dioxo-1-anthracenesulfonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium anthraquinone-1-sulfonate128-56-359 % similar 9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid145-48-259 % similar 1-Chloroanthraquinone82-44-054 % similar 2-Sulfobenzoic acid632-25-754 % similar 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid116-81-453 % similar 1-Hydroxyanthraquinone129-43-153 % similar Disodium 9,10-dioxoanthracene-1,5-disulfonate(2-)853-35-051 % similar Ammonium o-carboxybenzenesulfonate6939-89-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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