chempirical

Methyl 2-furoate

C6H6O3CAS 611-13-2126.11 g/mol

Open in Covalent MOL file
OOO
Ester

Properties

Molecular formula
C6H6O3
Molar mass
126.11 g/mol
Exact mass
126.0317 Da
Density
1.1783 g/mL (at 20 °C)
Boiling point
181.3 °C
logP
1.07Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
611-13-2
SMILES
COC(=O)c1ccco1
InChIKey
HDJLSECJEQSPKW-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

10 names
  • 2-Furancarboxylic acid, methyl ester
  • 2-Furoic acid, methyl ester
  • Methyl pyromucate
  • Pyromucic acid methyl ester
  • Methyl 2-furancarboxylate
  • 2-(Methoxycarbonyl)furan
  • Methyl 2-furylcarboxylate
  • Methyl α-furoate
  • NSC 35551
  • 5-(Methoxymethyl)-furoic acid

Work with Methyl 2-furoate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2-furoate614-99-361 % similar 2,5-Dimethyl 2,5-furandicarboxylate4282-32-059 % similar Dimethyl phthalate131-11-355 % similar Alpha-furil492-94-452 % similar 2-Acetylfuran1192-62-752 % similar Methyl 5-methyl-2-furancarboxylate2527-96-050 % similar Methyl 2-methylfuran-3-carboxylate6141-58-849 % similar Methyl benzoate93-58-348 % similar

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

Same formula

Phloroglucinol108-73-6 Maltol118-71-8 Methyl furan-3-carboxylate13129-23-2 Acrylic anhydride2051-76-5 3-Methylfuran-2-carboxylic acid4412-96-8 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-8 Hydroxyquinol533-73-3 Hydroxymethylfurfural67-47-0

Elsewhere

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