5900-42-5
6-METHYL-2,4-DIOXO-1-PHENYL-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBONITRILE
Name
6-METHYL-2,4-DIOXO-1-PHENYL-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBONITRILE
Formula
C12 H9 N3 O2
MolWeight
227.222
1Identification
【Name】
6-METHYL-2,4-DIOXO-1-PHENYL-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBONITRILE
【CAS】
【MDL】
MFCD22689344
【English Synonyms】
【Formula】
C12 H9 N3 O2
【MolWeight】
227.222
【Inchi】
InChI=1S/C12H9N3O2/c1-8-10(7-13)11(16)14-12(17)15(8)9-5-3-2-4-6-9/h2-6H,1H3,(H,14,16,17)
【InChIKey】
InChIKey=IPISLRSVCCELHW-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)[nH]c(=O)n1c2ccccc2)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-2,4-DIOXO-1-PHENYL-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBONITRILE.cml
Quick Release
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Catalog No:70-0352 5G
Catalog No:70-0352 1G
Country/Region:United States
Business Type:Others
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