1-benzofuran;oxaldehydic acid

C10H8O4 — CID 20511979

IUPAC1-benzofuran;oxaldehydic acid
SMILESO=CC(=O)O.c1ccc2occc2c1
InChIInChI=1S/C8H6O.C2H2O3/c1-2-4-8-7(3-1)5-6-9-8;3-1-2(4)5/h1-6H;1H,(H,4,5)
InChIKeyANXNCTCTSPVYIS-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.70
Rot. Bonds1

About 1-benzofuran;oxaldehydic acid

1-benzofuran;oxaldehydic acid (PubChem CID 20511979) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 1-benzofuran;oxaldehydic acid.

Molecular Properties

Compound Name1-benzofuran;oxaldehydic acid
PubChem CID20511979
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name1-benzofuran;oxaldehydic acid
SMILESO=CC(=O)O.c1ccc2occc2c1
InChIInChI=1S/C8H6O.C2H2O3/c1-2-4-8-7(3-1)5-6-9-8;3-1-2(4)5/h1-6H;1H,(H,4,5)
InChIKeyANXNCTCTSPVYIS-UHFFFAOYSA-N
XLogP1.70
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;oxaldehydic acid?
The IUPAC name of 1-benzofuran;oxaldehydic acid (CID 20511979) is 1-benzofuran;oxaldehydic acid.
What is the SMILES notation for 1-benzofuran;oxaldehydic acid?
The canonical SMILES for 1-benzofuran;oxaldehydic acid is O=CC(=O)O.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;oxaldehydic acid?
The InChIKey is ANXNCTCTSPVYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C2H2O3/c1-2-4-8-7(3-1)5-6-9-8;3-1-2(4)5/h1-6H;1H,(H,4,5).
What are the key properties of 1-benzofuran;oxaldehydic acid?
1-benzofuran;oxaldehydic acid has a molecular weight of 192.17 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;oxaldehydic acid is sourced from PubChem (CID 20511979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).