2-Methyl-3-furancarboxylic 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
Hazards
Danger
- H314 Causes severe skin burns and eye damage90.7% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
6947-94-0SMILES
Cc1occc1C(=O)OInChIKey
CFGQZVOVFIZRMN-UHFFFAOYSA-NInChI
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
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
4-Benzofurancarboxylic acid166599-84-447 % similar
Benzofuran-7-carboxylic acid90484-22-347 % similar
2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-046 % similar
o-Toluic acid118-90-145 % similar
2,5-Dimethylterephthalic acid6051-66-745 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.