54506-67-1
1,6-DIHYDRO-2-(1-METHYLETHYL)-6-OXO-4-PYRIMIDINEACETIC ACID
Name1,6-DIHYDRO-2-(1-METHYLETHYL)-6-OXO-4-PYRIMIDINEACETIC ACID
1Identification
【Name】
1,6-DIHYDRO-2-(1-METHYLETHYL)-6-OXO-4-PYRIMIDINEACETIC ACID
【CAS】
【MDL】
MFCD18820928
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C9 H12 N2 O3
【pro_molWeight】
196.205
【Inchi】
InChI=1S/C9H12N2O3/c1-5(2)9-10-6(4-8(13)14)3-7(12)11-9/h3,5H,4H2,1-2H3,(H,13,14)(H,10,11,12)
【InChIKey】
InChIKey=PZAWXMCAHSCTQT-UHFFFAOYSA-N
【SMILES】
CC(C)c1[nH]c(=O)cc(n1)CC(=O)O
【MOL File】
1,6-DIHYDRO-2-(1-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,6-DIHYDRO-2-(1-METHYLETHYL)-6-OXO-4-PYRIMIDINEACETIC ACID.cml