3-Methylfuran-2-carboxylic acid
Properties
- Molecular formula
- C6H6O3
- Molar mass
- 126.11 g/mol
- Exact mass
- 126.0317 Da
- Melting point
- 134 °C
- logP
- 1.29Crippen estimate
- Polar surface area
- 50.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4412-96-8SMILES
Cc1ccoc1C(=O)OInChIKey
BNYIQEFWGSXIKQ-UHFFFAOYSA-NInChI
InChI=1S/C6H6O3/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2-Furancarboxylic acid, 3-methyl-
- 2-Furoic acid, 3-methyl-
- 3-Methyl-2-furancarboxylic acid
- Elsholtzic acid
- 3-Methyl-2-furoic acid
- NSC 508742
Reactions
Work with 3-Methylfuran-2-carboxylic acid
Similar compounds
Methyl 3-methyl-2-furancarboxylate6141-57-753 % similar
2-Methyl-3-furancarboxylic acid6947-94-052 % similar
2,6-Dimethylbenzoic acid632-46-247 % similar
2,3-Dimethylbenzoic acid603-79-246 % similar
3,4-Dimethylbenzoic acid619-04-544 % similar
3-Methyl-2-thiophenecarboxylic acid23806-24-843 % similar
2,4,5-Trimethylbenzoic acid528-90-542 % similar
2-Furoic acid88-14-242 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds