2-oxo-3H-furan-5-carboxylic acid

C5H4O4 — CID 69217240

IUPAC2-oxo-3H-furan-5-carboxylic acid
SMILESO=C1CC=C(C(=O)O)O1
InChIInChI=1S/C5H4O4/c6-4-2-1-3(9-4)5(7)8/h1H,2H2,(H,7,8)
InChIKeySZEHSBHAFBBBMS-UHFFFAOYSA-N
MW128.08 g/mol
LogP-0.10
Rot. Bonds1

About 2-oxo-3H-furan-5-carboxylic acid

2-oxo-3H-furan-5-carboxylic acid (PubChem CID 69217240) has the molecular formula C5H4O4 and a molecular weight of 128.08 g/mol. Its IUPAC name is 2-oxo-3H-furan-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3H-furan-5-carboxylic acid
PubChem CID69217240
Molecular FormulaC5H4O4
Molecular Weight128.08 g/mol
Exact Mass128.01
IUPAC Name2-oxo-3H-furan-5-carboxylic acid
SMILESO=C1CC=C(C(=O)O)O1
InChIInChI=1S/C5H4O4/c6-4-2-1-3(9-4)5(7)8/h1H,2H2,(H,7,8)
InChIKeySZEHSBHAFBBBMS-UHFFFAOYSA-N
XLogP-0.10
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.08
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3H-furan-5-carboxylic acid?
The IUPAC name of 2-oxo-3H-furan-5-carboxylic acid (CID 69217240) is 2-oxo-3H-furan-5-carboxylic acid.
What is the SMILES notation for 2-oxo-3H-furan-5-carboxylic acid?
The canonical SMILES for 2-oxo-3H-furan-5-carboxylic acid is O=C1CC=C(C(=O)O)O1.
What is the InChIKey of 2-oxo-3H-furan-5-carboxylic acid?
The InChIKey is SZEHSBHAFBBBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O4/c6-4-2-1-3(9-4)5(7)8/h1H,2H2,(H,7,8).
What are the key properties of 2-oxo-3H-furan-5-carboxylic acid?
2-oxo-3H-furan-5-carboxylic acid has a molecular weight of 128.08 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3H-furan-5-carboxylic acid is sourced from PubChem (CID 69217240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).