288401-11-6
4',5'-DIMETHYL-2'-HYDROXY-3'-NITROPROPIOPHENONE
Name4',5'-DIMETHYL-2'-HYDROXY-3'-NITROPROPIOPHENONE
1Identification
【Name】
4',5'-DIMETHYL-2'-HYDROXY-3'-NITROPROPIOPHENONE
【CAS】
【MDL】
MFCD11616100
【English Synonyms】
【Formula】
C11 H13 N O4
【MolWeight】
223.227
【Inchi】
InChI=1S/C11H13NO4/c1-4-9(13)8-5-6(2)7(3)10(11(8)14)12(15)16/h5,14H,4H2,1-3H3
【InChIKey】
InChIKey=KNLBZTFYJMLZGP-UHFFFAOYSA-N
【SMILES】
CCC(=O)c1cc(c(c(c1O)[N+](=O)[O-])C)C
【MOL File】
4',5'-DIMETHYL-2'-HY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4',5'-DIMETHYL-2'-HYDROXY-3'-NITROPROPIOPHENONE.cml