3,5-Dimethyl-4-isoxazolecarboxylic acid

C₆H₇NO₃CAS 2510-36-3141.13 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₆H₇NO₃
Molar mass: 141.13 g/mol
Exact mass: 141.0426 Da
Melting point: 42–43 °C
logP: 0.99Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

2510-36-3

SMILES

Cc1noc(C)c1C(=O)O

InChIKey

IJEUISLJVBUNRE-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO3/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9)

Weigh it out

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

Names and synonyms

4 names

4-Isoxazolecarboxylic acid, 3,5-dimethyl-
4-Carboxy-3,5-dimethylisoxazole
3,5-Dimethyl-1,2-oxazole-4-carboxylic acid
3,5-Dimethylisoxazole-4-carboxylic acid

Work with 3,5-Dimethyl-4-isoxazolecarboxylic 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

3,5-Dimethylisoxazole-4-carbonyl chloride31301-45-858 % similar 5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-455 % similar 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid3919-76-451 % similar 3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid23598-72-349 % similar 4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-848 % similar 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid3919-74-245 % similar 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-944 % similar 3-Methyl-1,2-oxazole-4-carboxylic acid17153-20-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl oxazole-5-carboxylate118994-89-1 2-Isocyanatoethyl acrylate13641-96-8 N-(2-Hydroxyethyl)maleimide1585-90-6 3-Methyl-5-isoxazoleacetic acid 9819668-85-0 Methyl 5-methyl-3-isoxazolecarboxylate19788-35-3 Methyl 5-amino-2-furoate22600-30-2 Ethyl oxazole-4-carboxylate23012-14-8 2,4-Dimethyl-1,3-oxazole-5-carboxylic acid2510-37-4

Elsewhere

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