102689-15-6
2,4-DIHYDRO-5-PHENYL-2-(TETRAHYDRO-2,2-DIMETHYL-2H-PYRAN-4-YL)-3H-PYRAZOL-3-ONE
Name2,4-DIHYDRO-5-PHENYL-2-(TETRAHYDRO-2,2-DIMETHYL-2H-PYRAN-4-YL)-3H-PYRAZOL-3-ONE
1Identification
【Name】
2,4-DIHYDRO-5-PHENYL-2-(TETRAHYDRO-2,2-DIMETHYL-2H-PYRAN-4-YL)-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD01693103
【English Synonyms】
【Formula】
C16 H20 N2 O2
【MolWeight】
272.346
【Inchi】
InChI=1S/C16H20N2O2/c1-16(2)11-13(8-9-20-16)18-15(19)10-14(17-18)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
【InChIKey】
InChIKey=DNKYSMUELKMFQG-UHFFFAOYSA-N
【SMILES】
CC1(CC(CCO1)N2C(=O)CC(=N2)c3ccccc3)C
【MOL File】
2,4-DIHYDRO-5-PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-5-PHENYL-2-(TETRAHYDRO-2,2-DIMETHYL-2H-PYRAN-4-YL)-3H-PYRAZOL-3-ONE.cml