5-Methyl-2-furoic acid

C6H6O3CAS 1917-15-3126.11 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acid

Properties

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

Hazards

Warning
Irritant (GHS07)

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
1917-15-3
SMILES
CC1=CC=C(O1)C(=O)O
InChIKey
OVOCLWJUABOAPL-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)

Weigh it out

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Names and synonyms

1 names
  • 2-Furancarboxylic acid, 5-methyl-

Work with 5-Methyl-2-furoic 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 acid3238-40-268 % similar 2-Acetyl-5-methylfuran1193-79-957 % similar 1-(5-Methyl-2-furanyl)-1-propanone10599-69-656 % similar 5-Methylfuran-2-carbonyl chloride14003-11-355 % similar 5-Bromo-2-furancarboxylic acid585-70-655 % similar 5-Chlorofuran-2-carboxylic acid618-30-455 % similar 5-Formyl-2-furancarboxylic acid13529-17-452 % similar Methyl 5-methyl-2-furancarboxylate2527-96-052 % 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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