4116-38-5
1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
Name1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00090746
【English Synonyms】
【Formula】
C7 H8 N2 O4
【MolWeight】
184.15
【Inchi】
InChI=1S/C7H8N2O4/c1-8-4(6(11)12)3-5(10)9(2)7(8)13/h3H,1-2H3,(H,11,12)
【InChIKey】
InChIKey=ZXDYFTWNWCMEOS-UHFFFAOYSA-N
【SMILES】
Cn1c(cc(=O)n(c1=O)C)C(=O)O
【MOL File】
1,3-DIMETHYL-2,6-DIO….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
1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID.cml