9,10-dioxoanthracene-2-sulfonic acid

C14H8O5S — CID 8552

IUPAC9,10-dioxoanthracene-2-sulfonic acid
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21
InChIInChI=1S/C14H8O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H,(H,17,18,19)
InChIKeyMMNWSHJJPDXKCH-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.71
Rot. Bonds1

About 9,10-dioxoanthracene-2-sulfonic acid

9,10-dioxoanthracene-2-sulfonic acid (PubChem CID 8552) has the molecular formula C14H8O5S and a molecular weight of 288.28 g/mol. Its IUPAC name is 9,10-dioxoanthracene-2-sulfonic acid.

Molecular Properties

Compound Name9,10-dioxoanthracene-2-sulfonic acid
PubChem CID8552
Molecular FormulaC14H8O5S
Molecular Weight288.28 g/mol
Exact Mass288.01
IUPAC Name9,10-dioxoanthracene-2-sulfonic acid
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21
InChIInChI=1S/C14H8O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H,(H,17,18,19)
InChIKeyMMNWSHJJPDXKCH-UHFFFAOYSA-N
XLogP1.71
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dioxoanthracene-2-sulfonic acid?
The IUPAC name of 9,10-dioxoanthracene-2-sulfonic acid (CID 8552) is 9,10-dioxoanthracene-2-sulfonic acid.
What is the SMILES notation for 9,10-dioxoanthracene-2-sulfonic acid?
The canonical SMILES for 9,10-dioxoanthracene-2-sulfonic acid is O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21.
What is the InChIKey of 9,10-dioxoanthracene-2-sulfonic acid?
The InChIKey is MMNWSHJJPDXKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H,(H,17,18,19).
What are the key properties of 9,10-dioxoanthracene-2-sulfonic acid?
9,10-dioxoanthracene-2-sulfonic acid has a molecular weight of 288.28 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxoanthracene-2-sulfonic acid is sourced from PubChem (CID 8552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).