5-Formyl-2-furancarboxylic acid

C₆H₄O₄CAS 13529-17-4140.09 g/mol

Open in Covalent MOL file

Aldehyde Carboxylic acid

Properties

Molecular formula: C₆H₄O₄
Molar mass: 140.09 g/mol
Exact mass: 140.0110 Da
logP: 0.79Crippen estimate
Polar surface area: 67.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

13529-17-4

SMILES

C1=C(OC(=C1)C(=O)O)C=O

InChIKey

SHNRXUWGUKDPMA-UHFFFAOYSA-N

InChI

InChI=1S/C6H4O4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9)

Weigh it out

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

Work with 5-Formyl-2-furancarboxylic acid

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

2,5-Furandicarboxylic acid3238-40-263 % similar 2,5-Furandicarboxaldehyde823-82-552 % similar 5-Methyl-2-furoic acid1917-15-352 % similar 5-Bromo-2-furancarboxylic acid585-70-652 % similar 5-Chlorofuran-2-carboxylic acid618-30-452 % similar 5-(Hydroxymethyl)-2-furancarboxylic acid6338-41-649 % similar 5-Phenylfuran-2-carboxylic acid52938-97-347 % similar 2-Carboxybenzaldehyde119-67-546 % similar

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

Same formula

Coumalic acid500-05-0 2,5-Dihydroxy-1,4-benzoquinone615-94-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook