3-Methyl-5-isoxazolecarboxylic acid
Properties
- Molecular formula
- C5H5NO3
- Molar mass
- 127.10 g/mol
- Exact mass
- 127.0269 Da
- Melting point
- 176–177 °C (decomposes)
- logP
- 0.68Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation90% of notifiers
- H319 Causes serious eye irritation90% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 10 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
3405-77-4SMILES
Cc1cc(C(=O)O)no1InChIKey
BNMPIJWVMVNSRD-UHFFFAOYSA-NInChI
InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 5-Methyl-3-isoxazolecarboxylic acid
- 3-Isoxazolecarboxylic acid, 5-methyl-
- 3-Carboxy-5-methylisoxazole
- 5-Methyl-1,2-oxazole-3-carboxylic acid
Work with 3-Methyl-5-isoxazolecarboxylic acid
Similar compounds
5-Methylisoxazole-3-carbonyl chloride39499-34-858 % similar
Methyl 5-methyl-3-isoxazolecarboxylate19788-35-354 % similar
5-Phenylisoxazole-3-carboxylic acid14441-90-851 % similar
Ethyl 5-methylisoxazole-3-carboxylate3209-72-150 % similar
5-(2-Furyl)isoxazole-3-carboxylic acid98434-06-149 % similar
2,5-Dimethyl-3-furancarboxylic acid636-44-249 % similar
5-(4-Chlorophenyl)isoxazole-3-carboxylic acid33282-22-348 % similar
5-(4-Fluorophenyl)-3-isoxazolecarboxylic acid33282-24-548 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds