chempirical

2-Methyl-3-furancarboxylic acid

C6H6O3CAS 6947-94-0126.11 g/mol

Open in Covalent MOL file
OOHO
Carboxylic acid

Properties

Molecular formula
C6H6O3
Molar mass
126.11 g/mol
Exact mass
126.0317 Da
Melting point
101 °C
logP
1.29Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
6947-94-0
SMILES
Cc1occc1C(=O)O
InChIKey
CFGQZVOVFIZRMN-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O3/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)

Weigh it out

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

Names and synonyms

4 names
  • 3-Furancarboxylic acid, 2-methyl-
  • 3-Furoic acid, 2-methyl-
  • 2-Methyl-3-furoic acid
  • NSC 55881

Work with 2-Methyl-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

Methyl 2-methylfuran-3-carboxylate6141-58-858 % similar 5-Methylisoxazole-4-carboxylic acid42831-50-550 % similar 2,5-Dimethyl-3-furancarboxylic acid636-44-250 % similar 2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-046 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-245 % similar Phthalic acid88-99-345 % similar 3-(Acetylthio)-2-methylfuran55764-25-544 % similar 4-Methylphthalic acid4316-23-844 % 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 Methyl 2-furoate611-13-2

Elsewhere

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