6 6 0 0000 0 0 0 0 0999 V2000 0.0000 -1.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.2445 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0460 -1.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.2817 -2.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3819 -1.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 5 2 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 2 0 M END > InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2 > BZKFMUIJRXWWQK-UHFFFAOYSA-N > 1/0/N:1,2,5,3,4,6/rA:6nCCCCCO/rB:s1;s2;s3;d1s4;d4;/rC:0,-1.762,0;0,-.4261,0;1.2445,0,0;2.046,-1.0687,0;1.2817,-2.1441,0;3.3819,-1.0518,0; > C5 H6 O > 82.10054 > C1=CC(=O)CC1 > 12999 $$$$