chempirical

2,5-Furandicarboxaldehyde

C6H4O3CAS 823-82-5124.09 g/mol

Open in Covalent MOL file
OOO
Aldehyde

Properties

Molecular formula
C6H4O3
Molar mass
124.09 g/mol
Exact mass
124.0160 Da
Melting point
190.1–190.5 °C
logP
0.90Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
823-82-5
SMILES
O=Cc1ccc(C=O)o1
InChIKey
PXJJKVNIMAZHCB-UHFFFAOYSA-N
InChI
InChI=1S/C6H4O3/c7-3-5-1-2-6(4-8)9-5/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Furan-2,5-dialdehyde
  • 5-Formylfurfural
  • 2,5-Furandicarbaldehyde
  • 2,5-Diformylfuran
  • NSC 618088
  • 2,5-Bis(carboxaldehyde)furan
  • 2,5-Furandicarboxyaldehyde

Work with 2,5-Furandicarboxaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methylfurfural620-02-064 % similar 5-Ethyl-2-furaldehyde23074-10-456 % similar Hydroxymethylfurfural67-47-056 % similar 5-Nitrofurfural698-63-552 % similar Sodium 5-formyl-2-furansulfonate31795-44-548 % similar 5-(2-Chlorophenyl)-2-furancarboxaldehyde34035-04-648 % similar Furfural98-01-148 % similar 5-(3-Chlorophenyl)-2-furancarboxaldehyde22078-59-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook