furan-2,3-dicarboxylic acid

C6H4O5 — CID 819550

IUPACfuran-2,3-dicarboxylic acid
SMILESO=C(O)c1ccoc1C(=O)O
InChIInChI=1S/C6H4O5/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKeyDNXDYHALMANNEJ-UHFFFAOYSA-N
MW156.09 g/mol
LogP0.68
Rot. Bonds2

About furan-2,3-dicarboxylic acid

furan-2,3-dicarboxylic acid (PubChem CID 819550) has the molecular formula C6H4O5 and a molecular weight of 156.09 g/mol. Its IUPAC name is furan-2,3-dicarboxylic acid.

Molecular Properties

Compound Namefuran-2,3-dicarboxylic acid
PubChem CID819550
Molecular FormulaC6H4O5
Molecular Weight156.09 g/mol
Exact Mass156.01
IUPAC Namefuran-2,3-dicarboxylic acid
SMILESO=C(O)c1ccoc1C(=O)O
InChIInChI=1S/C6H4O5/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKeyDNXDYHALMANNEJ-UHFFFAOYSA-N
XLogP0.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.09
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2,3-dicarboxylic acid?
The IUPAC name of furan-2,3-dicarboxylic acid (CID 819550) is furan-2,3-dicarboxylic acid.
What is the SMILES notation for furan-2,3-dicarboxylic acid?
The canonical SMILES for furan-2,3-dicarboxylic acid is O=C(O)c1ccoc1C(=O)O.
What is the InChIKey of furan-2,3-dicarboxylic acid?
The InChIKey is DNXDYHALMANNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O5/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10).
What are the key properties of furan-2,3-dicarboxylic acid?
furan-2,3-dicarboxylic acid has a molecular weight of 156.09 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,3-dicarboxylic acid is sourced from PubChem (CID 819550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).