1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid

C14H8O6S — CID 2837522

IUPAC1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid
SMILESO=C1c2ccccc2C(=O)c2c1ccc(S(=O)(=O)O)c2O
InChIInChI=1S/C14H8O6S/c15-12-7-3-1-2-4-8(7)13(16)11-9(12)5-6-10(14(11)17)21(18,19)20/h1-6,17H,(H,18,19,20)
InChIKeyOAJSTIHCWHYVKO-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.41
Rot. Bonds1

About 1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid

1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid (PubChem CID 2837522) has the molecular formula C14H8O6S and a molecular weight of 304.28 g/mol. Its IUPAC name is 1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid.

Molecular Properties

Compound Name1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid
PubChem CID2837522
Molecular FormulaC14H8O6S
Molecular Weight304.28 g/mol
Exact Mass304.00
IUPAC Name1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid
SMILESO=C1c2ccccc2C(=O)c2c1ccc(S(=O)(=O)O)c2O
InChIInChI=1S/C14H8O6S/c15-12-7-3-1-2-4-8(7)13(16)11-9(12)5-6-10(14(11)17)21(18,19)20/h1-6,17H,(H,18,19,20)
InChIKeyOAJSTIHCWHYVKO-UHFFFAOYSA-N
XLogP1.41
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid?
The IUPAC name of 1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid (CID 2837522) is 1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid.
What is the SMILES notation for 1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid?
The canonical SMILES for 1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid is O=C1c2ccccc2C(=O)c2c1ccc(S(=O)(=O)O)c2O.
What is the InChIKey of 1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid?
The InChIKey is OAJSTIHCWHYVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O6S/c15-12-7-3-1-2-4-8(7)13(16)11-9(12)5-6-10(14(11)17)21(18,19)20/h1-6,17H,(H,18,19,20).
What are the key properties of 1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid?
1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid has a molecular weight of 304.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid is sourced from PubChem (CID 2837522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).