517916-96-0
2,3-DIHYDRO-7-METHYL-5-NITRO-1H-PYRROLIZIN-1-ONE
Name2,3-DIHYDRO-7-METHYL-5-NITRO-1H-PYRROLIZIN-1-ONE
1Identification
【Name】
2,3-DIHYDRO-7-METHYL-5-NITRO-1H-PYRROLIZIN-1-ONE
【CAS】
【MDL】
MFCD12924548
【English Synonyms】
【Formula】
C8 H8 N2 O3
【MolWeight】
180.162
【Inchi】
InChI=1S/C8H8N2O3/c1-5-4-7(10(12)13)9-3-2-6(11)8(5)9/h4H,2-3H2,1H3
【InChIKey】
InChIKey=IETWULAXHNDWAW-UHFFFAOYSA-N
【SMILES】
Cc1cc(n2c1C(=O)CC2)[N+](=O)[O-]
【MOL File】
2,3-DIHYDRO-7-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3-DIHYDRO-7-METHYL-5-NITRO-1H-PYRROLIZIN-1-ONE.cml