Mrv0541 05041408292D 5 4 0 0 0 0 999 V2000 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 3 2 0 0 0 0 M END > M2MDB005657 > M2MDB > CCN(=O)=O > InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3 > MCSAJNNLRCFZED-UHFFFAOYSA-N > C2H5NO2 > 75.0666 > 75.032028409 > 2 > 6.537624345217169 > 1 > 0 > 0 > 0 > nitroethane > 0.45 > 0.3763425976666664 > -0.44 > 0 > 0 > 0 > 8.700481898787729 > 45.82 > 17.336199999999998 > 1 > 1 > 2.72e+01 g/l > nitroethane > 0 > ECMDB23897 > beta-Lactam $$$$