101587-85-3
1-(6-HYDROXY-3,6-DIMETHYL-4-PHENYL-4,5,6,7-TETRAHYDRO-2H-INDAZOL-5-YL)-ETHANONE
Name1-(6-HYDROXY-3,6-DIMETHYL-4-PHENYL-4,5,6,7-TETRAHYDRO-2H-INDAZOL-5-YL)-ETHANONE
1Identification
【Name】
1-(6-HYDROXY-3,6-DIMETHYL-4-PHENYL-4,5,6,7-TETRAHYDRO-2H-INDAZOL-5-YL)-ETHANONE
【CAS】
【MDL】
MFCD02324992
【English Synonyms】
【Formula】
C17 H20 N2 O2
【MolWeight】
284.357
【Inchi】
InChI=1S/C17H20N2O2/c1-10-14-13(19-18-10)9-17(3,21)16(11(2)20)15(14)12-7-5-4-6-8-12/h4-8,15-16,21H,9H2,1-3H3,(H,18,19)
【InChIKey】
InChIKey=XNIRGPLNIOMGAR-UHFFFAOYSA-N
【SMILES】
Cc1c2c(n[nH]1)CC(C(C2c3ccccc3)C(=O)C)(C)O
【MOL File】
1-(6-HYDROXY-3,6-DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(6-HYDROXY-3,6-DIMETHYL-4-PHENYL-4,5,6,7-TETRAHYDRO-2H-INDAZOL-5-YL)-ETHANONE.cml