chempirical

2,5-Dimethyl-3-furancarboxylic acid

C7H8O3CAS 636-44-2140.14 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acid

Properties

Molecular formula
C7H8O3
Molar mass
140.14 g/mol
Exact mass
140.0473 Da
Melting point
134 °C
logP
1.59Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
636-44-2
SMILES
Cc1cc(C(=O)O)c(C)o1
InChIKey
CNTHHNPBADVTRY-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H,8,9)

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Names and synonyms

6 names
  • 3-Furancarboxylic acid, 2,5-dimethyl-
  • 3-Furoic acid, 2,5-dimethyl-
  • Pyrotritaric acid
  • Uvinic acid
  • 2,5-Dimethyl-3-furoic acid
  • NSC 170612

Work with 2,5-Dimethyl-3-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

3-Acetyl-2,5-dimethylfuran10599-70-959 % similar 2,5-Dimethyl-3-furancarbonyl chloride50990-93-758 % similar 2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-057 % similar 2-Methyl-3-furancarboxylic acid6947-94-050 % similar 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-749 % similar 5-Methyl-3-isoxazolecarboxylic acid3405-77-449 % similar 5-Methylisoxazole-4-carboxylic acid42831-50-549 % similar 2,4,5-Trimethylbenzoic acid528-90-545 % similar

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

Same formula

Ethyl 2-furoate1335-40-6 5-Methoxyresorcinol2174-64-3 Methyl 5-methyl-2-furancarboxylate2527-96-0 3,5-Dihydroxybenzyl alcohol29654-55-5 Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-5 2-Acetyl-1,3-cyclopentanedione3859-39-0 3,4-Dihydroxybenzyl alcohol3897-89-0 Ethyl maltol4940-11-8

Elsewhere

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