872826-30-7
3H-PYRAZOL-3-ONE, 4-ETHYL-2,4-DIHYDRO-4-HYDROXY-2,5-DIMETHYL-
Name3H-PYRAZOL-3-ONE, 4-ETHYL-2,4-DIHYDRO-4-HYDROXY-2,5-DIMETHYL-
1Identification
【Name】
3H-PYRAZOL-3-ONE, 4-ETHYL-2,4-DIHYDRO-4-HYDROXY-2,5-DIMETHYL-
【CAS】
【MDL】
MFCD16878748
【English Synonyms】
【Formula】
C7 H12 N2 O2
【MolWeight】
156.184
【Inchi】
InChI=1S/C7H12N2O2/c1-4-7(11)5(2)8-9(3)6(7)10/h11H,4H2,1-3H3
【InChIKey】
InChIKey=ZWIMEIOMOFEFMQ-UHFFFAOYSA-N
【SMILES】
CCC1(C(=NN(C1=O)C)C)O
【MOL File】
3H-PYRAZOL-3-ONE, 4-….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
3H-PYRAZOL-3-ONE, 4-ETHYL-2,4-DIHYDRO-4-HYDROXY-2,5-DIMETHYL-.cml