2-(furan-2-yl)furan-3,4-dicarboxylic acid

C10H6O6 — CID 153344951

IUPAC2-(furan-2-yl)furan-3,4-dicarboxylic acid
SMILESO=C(O)c1coc(-c2ccco2)c1C(=O)O
InChIInChI=1S/C10H6O6/c11-9(12)5-4-16-8(7(5)10(13)14)6-2-1-3-15-6/h1-4H,(H,11,12)(H,13,14)
InChIKeyPQYIMHIDNJETHC-UHFFFAOYSA-N
MW222.15 g/mol
LogP1.94
Rot. Bonds3

About 2-(furan-2-yl)furan-3,4-dicarboxylic acid

2-(furan-2-yl)furan-3,4-dicarboxylic acid (PubChem CID 153344951) has the molecular formula C10H6O6 and a molecular weight of 222.15 g/mol. Its IUPAC name is 2-(furan-2-yl)furan-3,4-dicarboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)furan-3,4-dicarboxylic acid
PubChem CID153344951
Molecular FormulaC10H6O6
Molecular Weight222.15 g/mol
Exact Mass222.02
IUPAC Name2-(furan-2-yl)furan-3,4-dicarboxylic acid
SMILESO=C(O)c1coc(-c2ccco2)c1C(=O)O
InChIInChI=1S/C10H6O6/c11-9(12)5-4-16-8(7(5)10(13)14)6-2-1-3-15-6/h1-4H,(H,11,12)(H,13,14)
InChIKeyPQYIMHIDNJETHC-UHFFFAOYSA-N
XLogP1.94
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)furan-3,4-dicarboxylic acid?
The IUPAC name of 2-(furan-2-yl)furan-3,4-dicarboxylic acid (CID 153344951) is 2-(furan-2-yl)furan-3,4-dicarboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)furan-3,4-dicarboxylic acid?
The canonical SMILES for 2-(furan-2-yl)furan-3,4-dicarboxylic acid is O=C(O)c1coc(-c2ccco2)c1C(=O)O.
What is the InChIKey of 2-(furan-2-yl)furan-3,4-dicarboxylic acid?
The InChIKey is PQYIMHIDNJETHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O6/c11-9(12)5-4-16-8(7(5)10(13)14)6-2-1-3-15-6/h1-4H,(H,11,12)(H,13,14).
What are the key properties of 2-(furan-2-yl)furan-3,4-dicarboxylic acid?
2-(furan-2-yl)furan-3,4-dicarboxylic acid has a molecular weight of 222.15 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)furan-3,4-dicarboxylic acid is sourced from PubChem (CID 153344951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).