878741-71-0
3-(CYANOMETHYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID METHYL ESTER
Name3-(CYANOMETHYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
3-(CYANOMETHYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD16619968
【English Synonyms】
【Formula】
C8 H9 N3 O2
【MolWeight】
179.178
【Inchi】
InChI=1S/C8H9N3O2/c1-11-7(8(12)13-2)5-6(10-11)3-4-9/h5H,3H2,1-2H3
【InChIKey】
InChIKey=CVWGYHZETIBDOQ-UHFFFAOYSA-N
【SMILES】
Cn1c(cc(n1)CC#N)C(=O)OC
【MOL File】
3-(CYANOMETHYL)-1-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(CYANOMETHYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID METHYL ESTER.cml