5900-40-3
6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
Name
6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
Formula
C6 H5 N3 O2
MolWeight
151.124
1Identification
【Name】
6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
【CAS】
【MDL】
MFCD07355755
【English Synonyms】
【Formula】
C6 H5 N3 O2
【MolWeight】
151.124
【Inchi】
InChI=1S/C6H5N3O2/c1-3-4(2-7)5(10)9-6(11)8-3/h1H3,(H2,8,9,10,11)
【InChIKey】
InChIKey=XUBWKPSLBXEADF-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)[nH]c(=O)[nH]1)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE.cml
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