chempirical

Methyl 2-methylfuran-3-carboxylate

C7H8O3CAS 6141-58-8140.14 g/mol

Open in Covalent MOL file
OOO
Ester

Properties

Molecular formula
C7H8O3
Molar mass
140.14 g/mol
Exact mass
140.0473 Da
Boiling point
75 °C (at 20 Torr)
logP
1.37Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
6141-58-8
SMILES
COC(=O)c1ccoc1C
InChIKey
UVRRIABXNIGUJZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3

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Names and synonyms

5 names
  • 3-Furancarboxylic acid, 2-methyl-, methyl ester
  • 3-Furoic acid, 2-methyl-, methyl ester
  • Methyl 2-methyl-3-furoate
  • 2-Methylfuran-3-carboxylic acid methyl ester
  • 2-Methyl-3-furoic acid methyl ester

Work with Methyl 2-methylfuran-3-carboxylate

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-Methyl-3-furancarboxylic acid6947-94-058 % similar Dimethyl phthalate131-11-352 % similar Tetramethyl pyromellitate635-10-950 % similar Methyl 3-aminofuran-2-carboxylate956034-04-149 % similar Methyl 2-methylbenzoate89-71-449 % similar Methyl salicylate119-36-847 % similar Methyl 5-methylsalicylate22717-57-346 % similar Methyl o-cresotinate23287-26-546 % 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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