Mrv0541 02241220572D 12 12 0 0 0 0 999 V2000 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 2 0 0 0 0 3 11 1 0 0 0 0 2 12 1 0 0 0 0 M END > NP0338428 > NP-MRD > CC(=O)C1=CC=C(C=C1)C(C)=O > InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3 > SKBBQSLSGRSQAJ-UHFFFAOYSA-N > C10H10O2 > 162.1852 > 162.068079564 > 2 > 17.397261755443665 > 1 > 0 > 0 > 1 > 1-(4-acetylphenyl)ethan-1-one > 1.76 > 1.0885408533333334 > -2.55 > 0 > 1 > 0 > 16.424918082130176 > 15.53726855465128 > -7.102718196232868 > 34.14 > 46.86360000000001 > 2 > 1 > 4.60e-01 g/l > P-acetylacetophenone > 1 > NP0338428 > 1,4-Diacetylbenzene $$$$