517916-99-3
2,3-DIHYDRO-7-(HYDROXYMETHYL)-6-NITRO-1H-PYRROLIZIN-1-ONE
Name2,3-DIHYDRO-7-(HYDROXYMETHYL)-6-NITRO-1H-PYRROLIZIN-1-ONE
1Identification
【Name】
2,3-DIHYDRO-7-(HYDROXYMETHYL)-6-NITRO-1H-PYRROLIZIN-1-ONE
【CAS】
【MDL】
MFCD21336990
【English Synonyms】
【Formula】
C8 H8 N2 O4
【MolWeight】
196.161
【Inchi】
InChI=1S/C8H8N2O4/c11-4-5-6(10(13)14)3-9-2-1-7(12)8(5)9/h3,11H,1-2,4H2
【InChIKey】
InChIKey=HYVQJGXBJOASBM-UHFFFAOYSA-N
【SMILES】
c1c(c(c2n1CCC2=O)CO)[N+](=O)[O-]
【MOL File】
2,3-DIHYDRO-7-(HYDRO….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
2,3-DIHYDRO-7-(HYDROXYMETHYL)-6-NITRO-1H-PYRROLIZIN-1-ONE.cml