155374-25-7
DIETHYL 7-OXO-4,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE-3,6-DICARBOXYLATE
NameDIETHYL 7-OXO-4,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE-3,6-DICARBOXYLATE
1Identification
【Name】
DIETHYL 7-OXO-4,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE-3,6-DICARBOXYLATE
【CAS】
【MDL】
MFCD01812303
【English Synonyms】
【Formula】
C12 H13 N3 O5
【MolWeight】
279.251
【Inchi】
InChI=1S/C12H13N3O5/c1-3-19-11(17)7-6-14-15-9(7)13-5-8(10(15)16)12(18)20-4-2/h5-6,13H,3-4H2,1-2H3
【InChIKey】
InChIKey=IHIGEAGNTNXSLZ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c[nH]c2c(cnn2c1=O)C(=O)OCC
【MOL File】
DIETHYL 7-OXO-4,7-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIETHYL 7-OXO-4,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE-3,6-DICARBOXYLATE.cml