5-oxo-2H-furan-4-carboperoxoic acid

C5H4O5 — CID 174799308

IUPAC5-oxo-2H-furan-4-carboperoxoic acid
SMILESO=C(OO)C1=CCOC1=O
InChIInChI=1S/C5H4O5/c6-4-3(1-2-9-4)5(7)10-8/h1,8H,2H2
InChIKeyRAFYOSJSDXMSED-UHFFFAOYSA-N
MW144.08 g/mol
LogP-0.51
Rot. Bonds1

About 5-oxo-2H-furan-4-carboperoxoic acid

5-oxo-2H-furan-4-carboperoxoic acid (PubChem CID 174799308) has the molecular formula C5H4O5 and a molecular weight of 144.08 g/mol. Its IUPAC name is 5-oxo-2H-furan-4-carboperoxoic acid.

Molecular Properties

Compound Name5-oxo-2H-furan-4-carboperoxoic acid
PubChem CID174799308
Molecular FormulaC5H4O5
Molecular Weight144.08 g/mol
Exact Mass144.01
IUPAC Name5-oxo-2H-furan-4-carboperoxoic acid
SMILESO=C(OO)C1=CCOC1=O
InChIInChI=1S/C5H4O5/c6-4-3(1-2-9-4)5(7)10-8/h1,8H,2H2
InChIKeyRAFYOSJSDXMSED-UHFFFAOYSA-N
XLogP-0.51
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.08
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2H-furan-4-carboperoxoic acid?
The IUPAC name of 5-oxo-2H-furan-4-carboperoxoic acid (CID 174799308) is 5-oxo-2H-furan-4-carboperoxoic acid.
What is the SMILES notation for 5-oxo-2H-furan-4-carboperoxoic acid?
The canonical SMILES for 5-oxo-2H-furan-4-carboperoxoic acid is O=C(OO)C1=CCOC1=O.
What is the InChIKey of 5-oxo-2H-furan-4-carboperoxoic acid?
The InChIKey is RAFYOSJSDXMSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O5/c6-4-3(1-2-9-4)5(7)10-8/h1,8H,2H2.
What are the key properties of 5-oxo-2H-furan-4-carboperoxoic acid?
5-oxo-2H-furan-4-carboperoxoic acid has a molecular weight of 144.08 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2H-furan-4-carboperoxoic acid is sourced from PubChem (CID 174799308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).