3-arsofuran-2,5-dione

C4HAsO5 — CID 175933443

IUPAC3-arsofuran-2,5-dione
SMILESO=C1C=C([As](=O)=O)C(=O)O1
InChIInChI=1S/C4HAsO5/c6-3-1-2(5(8)9)4(7)10-3/h1H
InChIKeyGXPDTIIGSOOJTG-UHFFFAOYSA-N
MW203.97 g/mol
LogP-1.12
Rot. Bonds1

About 3-arsofuran-2,5-dione

3-arsofuran-2,5-dione (PubChem CID 175933443) has the molecular formula C4HAsO5 and a molecular weight of 203.97 g/mol. Its IUPAC name is 3-arsofuran-2,5-dione.

Molecular Properties

Compound Name3-arsofuran-2,5-dione
PubChem CID175933443
Molecular FormulaC4HAsO5
Molecular Weight203.97 g/mol
Exact Mass203.90
IUPAC Name3-arsofuran-2,5-dione
SMILESO=C1C=C([As](=O)=O)C(=O)O1
InChIInChI=1S/C4HAsO5/c6-3-1-2(5(8)9)4(7)10-3/h1H
InChIKeyGXPDTIIGSOOJTG-UHFFFAOYSA-N
XLogP-1.12
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.97
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-arsofuran-2,5-dione?
The IUPAC name of 3-arsofuran-2,5-dione (CID 175933443) is 3-arsofuran-2,5-dione.
What is the SMILES notation for 3-arsofuran-2,5-dione?
The canonical SMILES for 3-arsofuran-2,5-dione is O=C1C=C([As](=O)=O)C(=O)O1.
What is the InChIKey of 3-arsofuran-2,5-dione?
The InChIKey is GXPDTIIGSOOJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HAsO5/c6-3-1-2(5(8)9)4(7)10-3/h1H.
What are the key properties of 3-arsofuran-2,5-dione?
3-arsofuran-2,5-dione has a molecular weight of 203.97 g/mol, XLogP of -1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-arsofuran-2,5-dione is sourced from PubChem (CID 175933443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).