52047-16-2
ETHYL 5-NITRO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLATE
NameETHYL 5-NITRO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLATE
1Identification
【Name】
ETHYL 5-NITRO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD01570795
【English Synonyms】
【Formula】
C7 H7 N3 O6
【MolWeight】
229.147
【Inchi】
InChI=1S/C7H7N3O6/c1-2-16-6(12)3-4(10(14)15)5(11)9-7(13)8-3/h2H2,1H3,(H2,8,9,11,13)
【InChIKey】
InChIKey=DAZDARINDDLSLS-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c(=O)[nH]c(=O)[nH]1)[N+](=O)[O-]
【MOL File】
ETHYL 5-NITRO-2,6-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 5-NITRO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLATE.cml