93587-26-9
3,5-DIHYDRO-7-NITRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
Name3,5-DIHYDRO-7-NITRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
1Identification
【Name】
3,5-DIHYDRO-7-NITRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD01465619
【English Synonyms】
【Formula】
C6 H4 N4 O3
【MolWeight】
180.123
【Inchi】
InChI=1S/C6H4N4O3/c11-6-5-4(8-2-9-6)3(1-7-5)10(12)13/h1-2,7H,(H,8,9,11)
【InChIKey】
InChIKey=VJQHZPGWPTUHFJ-UHFFFAOYSA-N
【SMILES】
c1c(c2c([nH]1)c(=O)[nH]cn2)[N+](=O)[O-]
【MOL File】
3,5-DIHYDRO-7-NITRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIHYDRO-7-NITRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE.cml