866144-50-5
DIMETHYL 2-ETHYL-2-(4-NITROPHENYL)MALONATE
NameDIMETHYL 2-ETHYL-2-(4-NITROPHENYL)MALONATE
1Identification
【Name】
DIMETHYL 2-ETHYL-2-(4-NITROPHENYL)MALONATE
【CAS】
【MDL】
MFCD03617762
【English Synonyms】
【Formula】
C13 H15 N O6
【MolWeight】
281.263
【Inchi】
InChI=1S/C13H15NO6/c1-4-13(11(15)19-2,12(16)20-3)9-5-7-10(8-6-9)14(17)18/h5-8H,4H2,1-3H3
【InChIKey】
InChIKey=RYEBXZSAGYRIGY-UHFFFAOYSA-N
【SMILES】
CCC(c1ccc(cc1)[N+](=O)[O-])(C(=O)OC)C(=O)OC
【MOL File】
DIMETHYL 2-ETHYL-2-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIMETHYL 2-ETHYL-2-(4-NITROPHENYL)MALONATE.cml