61043-18-3
3-(CYANOMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER
Name3-(CYANOMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
3-(CYANOMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD16620143
【English Synonyms】
【Formula】
C7 H7 N3 O2
【MolWeight】
165.151
【Inchi】
InChI=1S/C7H7N3O2/c1-12-7(11)5-4-9-10-6(5)2-3-8/h4H,2H2,1H3,(H,9,10)
【InChIKey】
InChIKey=JQGURSRHQYKAPV-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c[nH]nc1CC#N
【MOL File】
3-(CYANOMETHYL)-1H-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(CYANOMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER.cml