小分子和化合物库
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3-(2-乙基己氧基)-1,2-丙二醇CAS号: 70445-33-9分子式: C11H24O3 分子量: 204.31IUPAC Name: 3-(2-ethylhexoxy)propane-1,2-diolSMILES: CCCCC(CC)COCC(CO)OInChIKey: NCZPCONIKBICGS-UHFFFAOYSA-NInChI: 1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3
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4-乙氧基香豆素CAS号: 35817-27-7分子式: C11H10O3 分子量: 190.2IUPAC Name: 4-ethoxychromen-2-oneSMILES: CCOC1=CC(=O)OC2=CC=CC=C21InChIKey: FLZDKBHAUILYAZ-UHFFFAOYSA-NInChI: 1S/C11H10O3/c1-2-13-10-7-11(12)14-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3
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氟他胺CAS号: 13311-84-7分子式: C11H11F3N2O3 分子量: 276.22IUPAC Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamideSMILES: CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)FInChIKey: MKXKFYHWDHIYRV-UHFFFAOYSA-NInChI: 1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
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4'-羟基-3'-甲氧基苯乙酮CAS号: 498-02-2分子式: C9H10O3 分子量: 166.18IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanoneSMILES: CC(=O)C1=CC(=C(C=C1)O)OCInChIKey: DFYRUELUNQRZTB-UHFFFAOYSA-NInChI: 1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
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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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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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