53039-34-2
6-HYDROXY-2-(1-METHYLETHYL)-5-NITRO-4(3H)-PYRIMIDINONE
Name6-HYDROXY-2-(1-METHYLETHYL)-5-NITRO-4(3H)-PYRIMIDINONE
1Identification
【Name】
6-HYDROXY-2-(1-METHYLETHYL)-5-NITRO-4(3H)-PYRIMIDINONE
【CAS】
【MDL】
MFCD11218934
【English Synonyms】
【Formula】
C7 H9 N3 O4
【MolWeight】
199.165
【Inchi】
InChI=1S/C7H9N3O4/c1-3(2)5-8-6(11)4(10(13)14)7(12)9-5/h3H,1-2H3,(H2,8,9,11,12)
【InChIKey】
InChIKey=SMUAZZXWDYZOCA-UHFFFAOYSA-N
【SMILES】
CC(C)c1[nH]c(=O)c(c(n1)O)[N+](=O)[O-]
【MOL File】
6-HYDROXY-2-(1-METHY….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
6-HYDROXY-2-(1-METHYLETHYL)-5-NITRO-4(3H)-PYRIMIDINONE.cml