6237-99-6
2-ETHYL-6-HYDROXY-5-NITRO-3,4-DIHYDROPYRIMIDIN-4-ONE
Name2-ETHYL-6-HYDROXY-5-NITRO-3,4-DIHYDROPYRIMIDIN-4-ONE
1Identification
【Name】
2-ETHYL-6-HYDROXY-5-NITRO-3,4-DIHYDROPYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD11218932
【English Synonyms】
【Formula】
C6 H7 N3 O4
【MolWeight】
185.138
【Inchi】
InChI=1S/C6H7N3O4/c1-2-3-7-5(10)4(9(12)13)6(11)8-3/h2H2,1H3,(H2,7,8,10,11)
【InChIKey】
InChIKey=XSQADURXUUGZPI-UHFFFAOYSA-N
【SMILES】
CCc1[nH]c(=O)c(c(n1)O)[N+](=O)[O-]
【MOL File】
2-ETHYL-6-HYDROXY-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-ETHYL-6-HYDROXY-5-NITRO-3,4-DIHYDROPYRIMIDIN-4-ONE.cml