5078-59-1
1-[1-(2-HYDROXY-ETHYL)-5-METHYL-1H-PYRAZOL-4-YL]-ETHANONE
Name1-[1-(2-HYDROXY-ETHYL)-5-METHYL-1H-PYRAZOL-4-YL]-ETHANONE
1Identification
【Name】
1-[1-(2-HYDROXY-ETHYL)-5-METHYL-1H-PYRAZOL-4-YL]-ETHANONE
【CAS】
【MDL】
MFCD11168181
【English Synonyms】
【Formula】
C8 H12 N2 O2
【MolWeight】
168.195
【Inchi】
InChI=1S/C8H12N2O2/c1-6-8(7(2)12)5-9-10(6)3-4-11/h5,11H,3-4H2,1-2H3
【InChIKey】
InChIKey=CWUQLNBIBGEMBN-UHFFFAOYSA-N
【SMILES】
Cc1c(cnn1CCO)C(=O)C
【MOL File】
1-[1-(2-HYDROXY-ETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[1-(2-HYDROXY-ETHYL)-5-METHYL-1H-PYRAZOL-4-YL]-ETHANONE.cml