dibenzo-p-dioxin-1-sulfonic acid

C12H8O5S — CID 175796492

IUPACdibenzo-p-dioxin-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2c1Oc1ccccc1O2
InChIInChI=1S/C12H8O5S/c13-18(14,15)11-7-3-6-10-12(11)17-9-5-2-1-4-8(9)16-10/h1-7H,(H,13,14,15)
InChIKeyYJMJNPLKZUSBND-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.83
Rot. Bonds1

About dibenzo-p-dioxin-1-sulfonic acid

dibenzo-p-dioxin-1-sulfonic acid (PubChem CID 175796492) has the molecular formula C12H8O5S and a molecular weight of 264.26 g/mol. Its IUPAC name is dibenzo-p-dioxin-1-sulfonic acid.

Molecular Properties

Compound Namedibenzo-p-dioxin-1-sulfonic acid
PubChem CID175796492
Molecular FormulaC12H8O5S
Molecular Weight264.26 g/mol
Exact Mass264.01
IUPAC Namedibenzo-p-dioxin-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2c1Oc1ccccc1O2
InChIInChI=1S/C12H8O5S/c13-18(14,15)11-7-3-6-10-12(11)17-9-5-2-1-4-8(9)16-10/h1-7H,(H,13,14,15)
InChIKeyYJMJNPLKZUSBND-UHFFFAOYSA-N
XLogP2.83
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibenzo-p-dioxin-1-sulfonic acid?
The IUPAC name of dibenzo-p-dioxin-1-sulfonic acid (CID 175796492) is dibenzo-p-dioxin-1-sulfonic acid.
What is the SMILES notation for dibenzo-p-dioxin-1-sulfonic acid?
The canonical SMILES for dibenzo-p-dioxin-1-sulfonic acid is O=S(=O)(O)c1cccc2c1Oc1ccccc1O2.
What is the InChIKey of dibenzo-p-dioxin-1-sulfonic acid?
The InChIKey is YJMJNPLKZUSBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5S/c13-18(14,15)11-7-3-6-10-12(11)17-9-5-2-1-4-8(9)16-10/h1-7H,(H,13,14,15).
What are the key properties of dibenzo-p-dioxin-1-sulfonic acid?
dibenzo-p-dioxin-1-sulfonic acid has a molecular weight of 264.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzo-p-dioxin-1-sulfonic acid is sourced from PubChem (CID 175796492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).