60858-38-0
3-CYANO-5-METHYL-1H-PYRAZOLE-1-CARBOXYLIC ACID METHYL ESTER
Name3-CYANO-5-METHYL-1H-PYRAZOLE-1-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
3-CYANO-5-METHYL-1H-PYRAZOLE-1-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD16620144
【English Synonyms】
【Formula】
C7 H7 N3 O2
【MolWeight】
165.151
【Inchi】
InChI=1S/C7H7N3O2/c1-5-3-6(4-8)9-10(5)7(11)12-2/h3H,1-2H3
【InChIKey】
InChIKey=OXVNRXSSYMJVJQ-UHFFFAOYSA-N
【SMILES】
Cc1cc(nn1C(=O)OC)C#N
【MOL File】
3-CYANO-5-METHYL-1H-….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-CYANO-5-METHYL-1H-PYRAZOLE-1-CARBOXYLIC ACID METHYL ESTER.cml