5599-75-7
2,6-DIOXO-2,3,6,9-TETRAHYDRO-1H-PURINE 7-OXIDE
Name2,6-DIOXO-2,3,6,9-TETRAHYDRO-1H-PURINE 7-OXIDE
1Identification
【Name】
2,6-DIOXO-2,3,6,9-TETRAHYDRO-1H-PURINE 7-OXIDE
【CAS】
【MDL】
MFCD22207664
【English Synonyms】
【Formula】
C5 H4 N4 O3
【MolWeight】
168.112
【Inchi】
InChI=1S/C5H4N4O3/c10-4-2-3(6-1-9(2)12)7-5(11)8-4/h1H,(H3,6,7,8,10,11)
【InChIKey】
InChIKey=RIGBUZREBRNLFR-UHFFFAOYSA-N
【SMILES】
c1[nH]c2c([n+]1[O-])c(=O)[nH]c(=O)[nH]2
【MOL File】
2,6-DIOXO-2,3,6,9-TE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6-DIOXO-2,3,6,9-TETRAHYDRO-1H-PURINE 7-OXIDE.cml