5-formyl-4-methylfuran-2-carboxylic acid

C7H6O4 — CID 83681206

IUPAC5-formyl-4-methylfuran-2-carboxylic acid
SMILESCc1cc(C(=O)O)oc1C=O
InChIInChI=1S/C7H6O4/c1-4-2-5(7(9)10)11-6(4)3-8/h2-3H,1H3,(H,9,10)
InChIKeyOUCFTLKNZLUVLV-UHFFFAOYSA-N
MW154.12 g/mol
LogP1.10
Rot. Bonds2

About 5-formyl-4-methylfuran-2-carboxylic acid

5-formyl-4-methylfuran-2-carboxylic acid (PubChem CID 83681206) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 5-formyl-4-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-formyl-4-methylfuran-2-carboxylic acid
PubChem CID83681206
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name5-formyl-4-methylfuran-2-carboxylic acid
SMILESCc1cc(C(=O)O)oc1C=O
InChIInChI=1S/C7H6O4/c1-4-2-5(7(9)10)11-6(4)3-8/h2-3H,1H3,(H,9,10)
InChIKeyOUCFTLKNZLUVLV-UHFFFAOYSA-N
XLogP1.10
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-4-methylfuran-2-carboxylic acid?
The IUPAC name of 5-formyl-4-methylfuran-2-carboxylic acid (CID 83681206) is 5-formyl-4-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-formyl-4-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-formyl-4-methylfuran-2-carboxylic acid is Cc1cc(C(=O)O)oc1C=O.
What is the InChIKey of 5-formyl-4-methylfuran-2-carboxylic acid?
The InChIKey is OUCFTLKNZLUVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c1-4-2-5(7(9)10)11-6(4)3-8/h2-3H,1H3,(H,9,10).
What are the key properties of 5-formyl-4-methylfuran-2-carboxylic acid?
5-formyl-4-methylfuran-2-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-4-methylfuran-2-carboxylic acid is sourced from PubChem (CID 83681206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).