furan-3,4-dicarbaldehyde

C6H4O3 — CID 11804750

IUPACfuran-3,4-dicarbaldehyde
SMILESO=Cc1cocc1C=O
InChIInChI=1S/C6H4O3/c7-1-5-3-9-4-6(5)2-8/h1-4H
InChIKeyVOZUNQVRNQWCBG-UHFFFAOYSA-N
MW124.09 g/mol
LogP0.90
Rot. Bonds2

About furan-3,4-dicarbaldehyde

furan-3,4-dicarbaldehyde (PubChem CID 11804750) has the molecular formula C6H4O3 and a molecular weight of 124.09 g/mol. Its IUPAC name is furan-3,4-dicarbaldehyde.

Molecular Properties

Compound Namefuran-3,4-dicarbaldehyde
PubChem CID11804750
Molecular FormulaC6H4O3
Molecular Weight124.09 g/mol
Exact Mass124.02
IUPAC Namefuran-3,4-dicarbaldehyde
SMILESO=Cc1cocc1C=O
InChIInChI=1S/C6H4O3/c7-1-5-3-9-4-6(5)2-8/h1-4H
InChIKeyVOZUNQVRNQWCBG-UHFFFAOYSA-N
XLogP0.90
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 50.90
H-Bond Donors ≤ 50
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 furan-3,4-dicarbaldehyde?
The IUPAC name of furan-3,4-dicarbaldehyde (CID 11804750) is furan-3,4-dicarbaldehyde.
What is the SMILES notation for furan-3,4-dicarbaldehyde?
The canonical SMILES for furan-3,4-dicarbaldehyde is O=Cc1cocc1C=O.
What is the InChIKey of furan-3,4-dicarbaldehyde?
The InChIKey is VOZUNQVRNQWCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O3/c7-1-5-3-9-4-6(5)2-8/h1-4H.
What are the key properties of furan-3,4-dicarbaldehyde?
furan-3,4-dicarbaldehyde has a molecular weight of 124.09 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3,4-dicarbaldehyde is sourced from PubChem (CID 11804750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).