79088 -OEChem-02232017473D 11 10 0 0 0 0 0 0 0999 V2000 -1.2027 -1.0866 -0.5885 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3838 -0.8905 0.6259 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2962 1.0802 -0.6027 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7243 -0.1068 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 1.0129 0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7724 -0.0091 0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5695 0.7012 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 1.2496 1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4716 1.8938 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7163 1.7586 -1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2977 1.2417 -0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 6 2 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 M END > DB03578 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FPOLWERNILTNDK-UHFFFAOYSA-N/SDF?record_type=3d > CC(=O)C(N)=O > InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6) > FPOLWERNILTNDK-UHFFFAOYSA-N > C3H5NO2 > 87.0773 > 87.032028409 > 2 > 11 > -1.676622480881495e-07 > 7.737823585645522 > 1 > 1 > 0 > 0 > 2-oxopropanamide > -1.13 > -0.7410686603333332 > 0.28 > 0 > 0 > 0 > 0 > 13.775539715612016 > -4.0166205300804725 > 60.160000000000004 > 19.8119 > 1 > 1 > 1.65e+02 g/l > 2-methoxy-4-vinyl-phenol > 0 $$$$