dibenzo-p-dioxin-1,2-disulfonic acid

C12H8O8S2 — CID 150944671

IUPACdibenzo-p-dioxin-1,2-disulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1S(=O)(=O)O)Oc1ccccc1O2
InChIInChI=1S/C12H8O8S2/c13-21(14,15)10-6-5-9-11(12(10)22(16,17)18)20-8-4-2-1-3-7(8)19-9/h1-6H,(H,13,14,15)(H,16,17,18)
InChIKeyLIUGECWPVGVALV-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.08
Rot. Bonds2

About dibenzo-p-dioxin-1,2-disulfonic acid

dibenzo-p-dioxin-1,2-disulfonic acid (PubChem CID 150944671) has the molecular formula C12H8O8S2 and a molecular weight of 344.32 g/mol. Its IUPAC name is dibenzo-p-dioxin-1,2-disulfonic acid.

Molecular Properties

Compound Namedibenzo-p-dioxin-1,2-disulfonic acid
PubChem CID150944671
Molecular FormulaC12H8O8S2
Molecular Weight344.32 g/mol
Exact Mass343.97
IUPAC Namedibenzo-p-dioxin-1,2-disulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1S(=O)(=O)O)Oc1ccccc1O2
InChIInChI=1S/C12H8O8S2/c13-21(14,15)10-6-5-9-11(12(10)22(16,17)18)20-8-4-2-1-3-7(8)19-9/h1-6H,(H,13,14,15)(H,16,17,18)
InChIKeyLIUGECWPVGVALV-UHFFFAOYSA-N
XLogP2.08
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dibenzo-p-dioxin-1-sulfonic acid
CID 175796492
2-ethyl-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene-3-sulfonic acid
CID 141162587
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
sulfuric acid;9H-xanthene
CID 69337657
9H-carbazole-3,4-disulfonic acid
CID 87743227
2-dibenzo-p-dioxin-1-yl-2-oxoacetic acid
CID 22153878
CID 173016081
CID 173016081
4-amino-3-methylbenzene-1,2-disulfonic acid
CID 57282558
4-(4-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
CID 15258357
N-dibenzo-p-dioxin-1-ylacetamide
CID 13308325
4-bis(2,3,4-trisulfophenyl)phosphanylbenzene-1,2,3-trisulfonic acid
CID 87967600
acetic acid;naphthalene-1,2-disulfonic acid
CID 162339249

Frequently Asked Questions

What is the IUPAC name of dibenzo-p-dioxin-1,2-disulfonic acid?
The IUPAC name of dibenzo-p-dioxin-1,2-disulfonic acid (CID 150944671) is dibenzo-p-dioxin-1,2-disulfonic acid.
What is the SMILES notation for dibenzo-p-dioxin-1,2-disulfonic acid?
The canonical SMILES for dibenzo-p-dioxin-1,2-disulfonic acid is O=S(=O)(O)c1ccc2c(c1S(=O)(=O)O)Oc1ccccc1O2.
What is the InChIKey of dibenzo-p-dioxin-1,2-disulfonic acid?
The InChIKey is LIUGECWPVGVALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O8S2/c13-21(14,15)10-6-5-9-11(12(10)22(16,17)18)20-8-4-2-1-3-7(8)19-9/h1-6H,(H,13,14,15)(H,16,17,18).
What are the key properties of dibenzo-p-dioxin-1,2-disulfonic acid?
dibenzo-p-dioxin-1,2-disulfonic acid has a molecular weight of 344.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzo-p-dioxin-1,2-disulfonic acid is sourced from PubChem (CID 150944671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).