957490-68-5
3-(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-5-CARBOXYLIC ACID
Name3-(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
3-(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD04970292
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C10 H11 N3 O3
【pro_molWeight】
221.215
【Inchi】
InChI=1S/C10H11N3O3/c1-3-13-5-7(6(2)11-13)8-4-9(10(14)15)16-12-8/h4-5H,3H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=NSPMVACWQJCBIU-UHFFFAOYSA-N
【SMILES】
CCn1cc(c(n1)C)c2cc(on2)C(=O)O
【MOL File】
3-(1-ETHYL-3-METHYL-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-5-CARBOXYLIC ACID.cml