861210-10-8
4-(2-HYDROXYETHYL)-5-METHYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
Name4-(2-HYDROXYETHYL)-5-METHYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
1Identification
【Name】
4-(2-HYDROXYETHYL)-5-METHYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD03617960
【English Synonyms】
【Formula】
C12 H14 N2 O2
【MolWeight】
218.255
【Inchi】
InChI=1S/C12H14N2O2/c1-9-11(7-8-15)12(16)14(13-9)10-5-3-2-4-6-10/h2-6,13,15H,7-8H2,1H3
【InChIKey】
InChIKey=JQICUSPEMWKTSQ-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)n([nH]1)c2ccccc2)CCO
【MOL File】
4-(2-HYDROXYETHYL)-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-HYDROXYETHYL)-5-METHYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE.cml