5 4 0 0000 0 0 0 0 0999 V2000 0.0000 -1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1511 -1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3056 -1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4567 -1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3056 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 3 5 1 0 M END > InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3 > MKUWVMRNQOOSAT-UHFFFAOYSA-N > 1/0/N:1,4,2,3,5/rA:5nCCCCO/rB:d1;s2;s3;s3;/rC:0,-1.3308,0;1.1511,-1.9945,0;2.3056,-1.3308,0;3.4567,-1.9945,0;2.3056,0,0; > C4 H8 O > 72.10572 > C=CC(O)C > 11224 $$$$