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小分子和化合物库
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1,1-二氯-2,2-双(4-氯苯基)乙烷分子式: C14H10Cl4 分子量: 320.04IUPAC Name: 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzeneSMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)ClInChIKey: AHJKRLASYNVKDZ-UHFFFAOYSA-NInChI: 1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
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2,6-二氯二苯胺CAS号: 15307-93-4分子式: C12H9Cl2N 分子量: 238.11IUPAC Name: 2,6-dichloro-N-phenylanilineSMILES: C1=CC=C(C=C1)NC2=C(C=CC=C2Cl)ClInChIKey: HDUUZPLYVVQTKN-UHFFFAOYSA-NInChI: 1S/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
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3,4-二羟基苯乙酸甲酯CAS号: 25379-88-8分子式: C9H10O4 分子量: 182.18IUPAC Name: methyl 2-(3,4-dihydroxyphenyl)acetateSMILES: COC(=O)CC1=CC(=C(C=C1)O)OInChIKey: UGFILLIGHGZLHE-UHFFFAOYSA-NInChI: 1S/C9H10O4/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4,10-11H,5H2,1H3
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3,5-二甲氧基苯酚CAS号: 500-99-2分子式: C8H10O3 分子量: 154.17IUPAC Name: 3,5-dimethoxyphenolSMILES: COC1=CC(=CC(=C1)O)OCInChIKey: XQDNFAMOIPNVES-UHFFFAOYSA-NInChI: 1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3
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5,5-二甲基噁唑烷-2,4-二酮CAS号: 695-53-4分子式: C5H7NO3 分子量: 129.12IUPAC Name: 5,5-dimethyl-1,3-oxazolidine-2,4-dioneSMILES: CC1(C(=O)NC(=O)O1)CInChIKey: JYJFNDQBESEHJQ-UHFFFAOYSA-NInChI: 1S/C5H7NO3/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)
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2,3-二甲氧基苯甲醛CAS号: 86-51-1分子式: C9H10O3 分子量: 166.18IUPAC Name: 2,3-dimethoxybenzaldehydeSMILES: COC1=CC=CC(=C1OC)C=OInChIKey: JIVGSHFYXPRRSZ-UHFFFAOYSA-NInChI: 1S/C9H10O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3
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3',4'-二羟基苯乙酮CAS号: 1197-09-7分子式: C8H8O3 分子量: 152.15IUPAC Name: 1-(3,4-dihydroxyphenyl)ethanoneSMILES: CC(=O)C1=CC(=C(C=C1)O)OInChIKey: UCQUAMAQHHEXGD-UHFFFAOYSA-NInChI: 1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
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4-甲氧基肉桂酸乙酯CAS号: 24393-56-4分子式: C12H14O3 分子量: 206.24IUPAC Name: ethyl (E)-3-(4-methoxyphenyl)prop-2-enoateSMILES: CCOC(=O)C=CC1=CC=C(C=C1)OCInChIKey: DHNGCHLFKUPGPX-RMKNXTFCSA-NInChI: 1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+
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