41555-68-4
3-(3,4-DIMETHOXYPHENYL)-1-METHYL-5,6,7-TRIHYDRO1H-INDAZOL-4-ONE
Name3-(3,4-DIMETHOXYPHENYL)-1-METHYL-5,6,7-TRIHYDRO1H-INDAZOL-4-ONE
1Identification
【Name】
3-(3,4-DIMETHOXYPHENYL)-1-METHYL-5,6,7-TRIHYDRO1H-INDAZOL-4-ONE
【CAS】
【MDL】
MFCD00170960
【English Synonyms】
【Formula】
C16 H18 N2 O3
【MolWeight】
286.329
【Inchi】
InChI=1S/C16H18N2O3/c1-18-11-5-4-6-12(19)15(11)16(17-18)10-7-8-13(20-2)14(9-10)21-3/h7-9H,4-6H2,1-3H3
【InChIKey】
InChIKey=ASACGJRQOMWYER-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(n1)c3ccc(c(c3)OC)OC)C(=O)CCC2
【MOL File】
3-(3,4-DIMETHOXYPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3,4-DIMETHOXYPHENYL)-1-METHYL-5,6,7-TRIHYDRO1H-INDAZOL-4-ONE.cml