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
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C7 H9 N3 O4
【pro_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
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
6-HYDROXY-2-(1-METHYLETHYL)-5-NITRO-4(3H)-PYRIMIDINONE.cml