1-benzofuran-2,3-dicarboxylic acid

C10H6O5 — CID 589497

IUPAC1-benzofuran-2,3-dicarboxylic acid
SMILESO=C(O)c1oc2ccccc2c1C(=O)O
InChIInChI=1S/C10H6O5/c11-9(12)7-5-3-1-2-4-6(5)15-8(7)10(13)14/h1-4H,(H,11,12)(H,13,14)
InChIKeyFAEMVAVNTRSKEZ-UHFFFAOYSA-N
MW206.15 g/mol
LogP1.83
Rot. Bonds2

About 1-benzofuran-2,3-dicarboxylic acid

1-benzofuran-2,3-dicarboxylic acid (PubChem CID 589497) has the molecular formula C10H6O5 and a molecular weight of 206.15 g/mol. Its IUPAC name is 1-benzofuran-2,3-dicarboxylic acid.

Molecular Properties

Compound Name1-benzofuran-2,3-dicarboxylic acid
PubChem CID589497
Molecular FormulaC10H6O5
Molecular Weight206.15 g/mol
Exact Mass206.02
IUPAC Name1-benzofuran-2,3-dicarboxylic acid
SMILESO=C(O)c1oc2ccccc2c1C(=O)O
InChIInChI=1S/C10H6O5/c11-9(12)7-5-3-1-2-4-6(5)15-8(7)10(13)14/h1-4H,(H,11,12)(H,13,14)
InChIKeyFAEMVAVNTRSKEZ-UHFFFAOYSA-N
XLogP1.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2,3-dicarboxylic acid?
The IUPAC name of 1-benzofuran-2,3-dicarboxylic acid (CID 589497) is 1-benzofuran-2,3-dicarboxylic acid.
What is the SMILES notation for 1-benzofuran-2,3-dicarboxylic acid?
The canonical SMILES for 1-benzofuran-2,3-dicarboxylic acid is O=C(O)c1oc2ccccc2c1C(=O)O.
What is the InChIKey of 1-benzofuran-2,3-dicarboxylic acid?
The InChIKey is FAEMVAVNTRSKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O5/c11-9(12)7-5-3-1-2-4-6(5)15-8(7)10(13)14/h1-4H,(H,11,12)(H,13,14).
What are the key properties of 1-benzofuran-2,3-dicarboxylic acid?
1-benzofuran-2,3-dicarboxylic acid has a molecular weight of 206.15 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2,3-dicarboxylic acid is sourced from PubChem (CID 589497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).