Mrv1533004171512152D 13 13 0 0 0 0 999 V2000 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 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 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 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 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 2 1 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 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 2 0 0 0 0 6 12 1 0 0 0 0 12 13 2 0 0 0 0 3 13 1 0 0 0 0 M END > NP0328253 > NP-MRD > COC1=CC=C(OCC=C=C)C=C1 > InChI=1S/C11H12O2/c1-3-4-9-13-11-7-5-10(12-2)6-8-11/h4-8H,1,9H2,2H3 > TXYGRQWMWFCIEC-UHFFFAOYSA-N > C11H12O2 > 176.215 > 176.083729626 > 2 > 25 > 19.770938750531013 > 1 > 0 > 0 > 1 > 1-(buta-2,3-dien-1-yloxy)-4-methoxybenzene > 3.03 > 2.6260751053333333 > -2.33 > 0 > 1 > 0 > -4.5288242974657145 > 18.46 > 52.42880000000001 > 4 > 1 > 8.18e-01 g/l > 1-(buta-2,3-dien-1-yloxy)-4-methoxybenzene > 1 > NP0328253 > 1-(buta-2,3-dien-1-yloxy)-4-methoxybenzene $$$$