446276-10-4
1-METHOXY-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
Name1-METHOXY-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
1Identification
【Name】
1-METHOXY-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
【CAS】
【MDL】
MFCD00172922
【English Synonyms】
【Formula】
C6 H5 N3 O3
【MolWeight】
167.124
【Inchi】
InChI=1S/C6H5N3O3/c1-12-9-3-4(2-7)5(10)8-6(9)11/h3H,1H3,(H,8,10,11)
【InChIKey】
InChIKey=NUJFTDOPGHANAZ-UHFFFAOYSA-N
【SMILES】
COn1cc(c(=O)[nH]c1=O)C#N
【MOL File】
1-METHOXY-2,4-DIOXO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHOXY-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE.cml