2-(5-oxo-2H-furan-3-yl)acetic acid

C6H6O4 — CID 55300457

IUPAC2-(5-oxo-2H-furan-3-yl)acetic acid
SMILESO=C(O)CC1=CC(=O)OC1
InChIInChI=1S/C6H6O4/c7-5(8)1-4-2-6(9)10-3-4/h2H,1,3H2,(H,7,8)
InChIKeyUJAJSMLCUADXFA-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.06
Rot. Bonds2

About 2-(5-oxo-2H-furan-3-yl)acetic acid

2-(5-oxo-2H-furan-3-yl)acetic acid (PubChem CID 55300457) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-(5-oxo-2H-furan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxo-2H-furan-3-yl)acetic acid
PubChem CID55300457
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name2-(5-oxo-2H-furan-3-yl)acetic acid
SMILESO=C(O)CC1=CC(=O)OC1
InChIInChI=1S/C6H6O4/c7-5(8)1-4-2-6(9)10-3-4/h2H,1,3H2,(H,7,8)
InChIKeyUJAJSMLCUADXFA-UHFFFAOYSA-N
XLogP-0.06
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-oxo-2H-furan-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2H-furan-3-yl)acetic acid?
The IUPAC name of 2-(5-oxo-2H-furan-3-yl)acetic acid (CID 55300457) is 2-(5-oxo-2H-furan-3-yl)acetic acid.
What is the SMILES notation for 2-(5-oxo-2H-furan-3-yl)acetic acid?
The canonical SMILES for 2-(5-oxo-2H-furan-3-yl)acetic acid is O=C(O)CC1=CC(=O)OC1.
What is the InChIKey of 2-(5-oxo-2H-furan-3-yl)acetic acid?
The InChIKey is UJAJSMLCUADXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c7-5(8)1-4-2-6(9)10-3-4/h2H,1,3H2,(H,7,8).
What are the key properties of 2-(5-oxo-2H-furan-3-yl)acetic acid?
2-(5-oxo-2H-furan-3-yl)acetic acid has a molecular weight of 142.11 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2H-furan-3-yl)acetic acid is sourced from PubChem (CID 55300457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).