2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid

C7H6O6 — CID 135359305

IUPAC2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid
SMILESO=C(O)COC(=O)C1C=CC(=O)O1
InChIInChI=1S/C7H6O6/c8-5(9)3-12-7(11)4-1-2-6(10)13-4/h1-2,4H,3H2,(H,8,9)
InChIKeyJLVZPXHMXLEALO-UHFFFAOYSA-N
MW186.12 g/mol
LogP-0.90
Rot. Bonds3

About 2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid

2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid (PubChem CID 135359305) has the molecular formula C7H6O6 and a molecular weight of 186.12 g/mol. Its IUPAC name is 2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid
PubChem CID135359305
Molecular FormulaC7H6O6
Molecular Weight186.12 g/mol
Exact Mass186.02
IUPAC Name2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid
SMILESO=C(O)COC(=O)C1C=CC(=O)O1
InChIInChI=1S/C7H6O6/c8-5(9)3-12-7(11)4-1-2-6(10)13-4/h1-2,4H,3H2,(H,8,9)
InChIKeyJLVZPXHMXLEALO-UHFFFAOYSA-N
XLogP-0.90
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid?
The IUPAC name of 2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid (CID 135359305) is 2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid.
What is the SMILES notation for 2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid?
The canonical SMILES for 2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid is O=C(O)COC(=O)C1C=CC(=O)O1.
What is the InChIKey of 2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid?
The InChIKey is JLVZPXHMXLEALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O6/c8-5(9)3-12-7(11)4-1-2-6(10)13-4/h1-2,4H,3H2,(H,8,9).
What are the key properties of 2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid?
2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid has a molecular weight of 186.12 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2H-furan-2-carbonyl)oxyacetic acid is sourced from PubChem (CID 135359305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).