57712-59-1
1-ISOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
Name
1-ISOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
Formula
C8 H9 N3 O2
MolWeight
179.178
1Identification
【Name】
1-ISOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
【CAS】
【MDL】
MFCD00203975
【English Synonyms】
【Formula】
C8 H9 N3 O2
【MolWeight】
179.178
【Inchi】
InChI=1S/C8H9N3O2/c1-5(2)11-4-6(3-9)7(12)10-8(11)13/h4-5H,1-2H3,(H,10,12,13)
【InChIKey】
InChIKey=OKKOFTSDDHQKNW-UHFFFAOYSA-N
【SMILES】
CC(C)n1cc(c(=O)[nH]c1=O)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-ISOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE.cml
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