863752-90-3
1-METHYL-5-(2-METHYL-1-PROPEN-1-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Name1-METHYL-5-(2-METHYL-1-PROPEN-1-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-METHYL-5-(2-METHYL-1-PROPEN-1-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16619976
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C9 H12 N2 O2
【pro_molWeight】
180.206
【Inchi】
InChI=1S/C9H12N2O2/c1-6(2)4-7-5-8(9(12)13)10-11(7)3/h4-5H,1-3H3,(H,12,13)
【InChIKey】
InChIKey=SXCZTYCRUCMBHF-UHFFFAOYSA-N
【SMILES】
CC(=Cc1cc(nn1C)C(=O)O)C
【MOL File】
1-METHYL-5-(2-METHYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-METHYL-5-(2-METHYL-1-PROPEN-1-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID.cml