93316-99-5
1-(2-HYDROXY-4,6-DIMETHOXYPHENYL)-3-(3-NITROPHENYL)-2-PROPEN-1-ONE
Name1-(2-HYDROXY-4,6-DIMETHOXYPHENYL)-3-(3-NITROPHENYL)-2-PROPEN-1-ONE
1Identification
【Name】
1-(2-HYDROXY-4,6-DIMETHOXYPHENYL)-3-(3-NITROPHENYL)-2-PROPEN-1-ONE
【CAS】
【MDL】
MFCD03788894
【English Synonyms】
【Formula】
C17 H15 N O6
【MolWeight】
329.306
【Inchi】
InChI=1S/C17H15NO6/c1-23-13-9-15(20)17(16(10-13)24-2)14(19)7-6-11-4-3-5-12(8-11)18(21)22/h3-10,20H,1-2H3/b7-6+
【InChIKey】
InChIKey=RNJWVWDASBIOQQ-VOTSOKGWSA-N
【SMILES】
COc1cc(c(c(c1)OC)C(=O)/C=C/c2cccc(c2)[N+](=O)[O-])O
【MOL File】
1-(2-HYDROXY-4,6-DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-HYDROXY-4,6-DIMETHOXYPHENYL)-3-(3-NITROPHENYL)-2-PROPEN-1-ONE.cml