139157-69-0
2-((2,2-DIMETHYL-1,3-DIOXAN-5-YLIDENE)METHYL)-1-METHYL-5-NITRO-1H-IMIDAZOLE
Name2-((2,2-DIMETHYL-1,3-DIOXAN-5-YLIDENE)METHYL)-1-METHYL-5-NITRO-1H-IMIDAZOLE
1Identification
【Name】
2-((2,2-DIMETHYL-1,3-DIOXAN-5-YLIDENE)METHYL)-1-METHYL-5-NITRO-1H-IMIDAZOLE
【CAS】
【MDL】
MFCD01753541
【English Synonyms】
【Formula】
C11 H15 N3 O4
【MolWeight】
253.257
【Inchi】
InChI=1S/C11H15N3O4/c1-11(2)17-6-8(7-18-11)4-9-12-5-10(13(9)3)14(15)16/h4-5H,6-7H2,1-3H3
【InChIKey】
InChIKey=WFPDWUDPNTZURJ-UHFFFAOYSA-N
【SMILES】
CC1(OCC(=Cc2ncc(n2C)[N+](=O)[O-])CO1)C
【MOL File】
2-((2,2-DIMETHYL-1,3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((2,2-DIMETHYL-1,3-DIOXAN-5-YLIDENE)METHYL)-1-METHYL-5-NITRO-1H-IMIDAZOLE.cml