小分子和化合物库
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4-(4-羟基-3-甲氧苯基)-3-丁烯-2-酮CAS号: 1080-12-2分子式: C11H12O3 分子量: 192.21IUPAC Name: (E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-oneSMILES: CC(=O)C=CC1=CC(=C(C=C1)O)OCInChIKey: AFWKBSMFXWNGRE-ONEGZZNKSA-NInChI: 1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
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1H,1H,2H,2H-全氟-1-辛醇CAS号: 647-42-7分子式: C8H5F13O 分子量: 364.11IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-olSMILES: C(CO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)FInChIKey: GRJRKPMIRMSBNK-UHFFFAOYSA-NInChI: 1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2
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咪多卡二丙酸盐CAS号: 55750-06-6分子式: C19H20N6O·2C3H6O2 分子量: 496.57IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;propanoic acidSMILES: CCC(=O)O.CCC(=O)O.C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4InChIKey: AFGQXWSHYUHHNV-UHFFFAOYSA-NInChI: 1S/C19H20N6O.2C3H6O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*1-2-3(4)5/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*2H2,1H3,(H,4,5)
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依普黄酮CAS号: 35212-22-7分子式: C18H16O3 分子量: 280.32IUPAC Name: 3-phenyl-7-propan-2-yloxychromen-4-oneSMILES: CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3InChIKey: SFBODOKJTYAUCM-UHFFFAOYSA-NInChI: 1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
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