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Chemical synthesis
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NinhydrinCas Number: 485-47-2 EC Number: 207-618-1Formula: C9H6O4 Molecular Weight: 178.14IUPAC Name: 2,2-dihydroxyindene-1,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)(O)OInChIKey: FEMOMIGRRWSMCU-UHFFFAOYSA-NInChI: InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13HSynonyms: 1,2,3-Indantrione monohydrate | Ninhydrin hydrate
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Methyl trans-p-CoumarateCas Number: 19367-38-5Formula: C10H10O3 Molecular Weight: 178.19IUPAC Name: methyl (E)-3-(4-hydroxyphenyl)prop-2-enoateSMILES: COC(=O)C=CC1=CC=C(C=C1)OInChIKey: NITWSHWHQAQBAW-QPJJXVBHSA-NInChI: InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+Synonyms: Cinnamic acid, p-hydroxy-, methyl ester (8CI) | Methyl Trans-P-Coumaric Acid | AG-690/03019022 | CHEBI:86904 | Methyl...
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Isopropyl 4-hydroxybenzoateCas Number: 4191-73-5Formula: C10H12O3 Molecular Weight: 180.2IUPAC Name: propan-2-yl 4-hydroxybenzoateSMILES: CC(C)OC(=O)C1=CC=C(C=C1)OInChIKey: CMHMMKSPYOOVGI-UHFFFAOYSA-NInChI: InChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3Synonyms: p-Oxybenzoesaureisopropylester | Z53833637 | FT-0627478 | Benzoic acid, 4-hydroxy-, 1-methylethyl ester | A6EOX47QK0 ...
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Methyl 2,4-dihydroxybenzoateCas Number: 2150-47-2 EC Number: MFCD00002276Formula: C8H8O4 Molecular Weight: 168.15IUPAC Name: methyl 2,4-dihydroxybenzoateSMILES: COC(=O)C1=C(C=C(C=C1)O)OInChIKey: IIFCLXHRIYTHPV-UHFFFAOYSA-NInChI: InChI=1S/C8H8O4/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H3Synonyms: methyl 2,4 dihydroxybenzoate | MFCD00002276 | SCHEMBL382883 | beta-Resorcylic Acid Methyl Ester | Methyl 4-hydroxysal...
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Methyl 2,6-dihydroxybenzoateCas Number: 2150-45-0 EC Number: 624-891-6Formula: (HO)2C6H3CO2CH3 Molecular Weight: 168.15IUPAC Name: methyl 2,6-dihydroxybenzoateSMILES: COC(=O)C1=C(C=CC=C1O)OInChIKey: WCQZCKUNZVMBDC-UHFFFAOYSA-NInChI: InChI=1S/C8H8O4/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,9-10H,1H3Synonyms: 2,6-Dihydroxybenzoic acid, methyl ester | DTXSID40334174 | Benzoic acid, 2,6-dihydroxy-, methyl ester | D1461 | J-014...
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Methyl 3,5-dihydroxybenzoateCas Number: 2150-44-9 EC Number: 218-426-2Formula: (HO)2C6H3CO2CH3 Molecular Weight: 168.15IUPAC Name: methyl 3,5-dihydroxybenzoateSMILES: COC(=O)C1=CC(=CC(=C1)O)OInChIKey: RNVFYQUEEMZKLR-UHFFFAOYSA-NInChI: InChI=1S/C8H8O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,9-10H,1H3Synonyms: AMY30290 | Z104487920 | AN-651/43112578 | cinc | EINECS 218-426-2 | Methyl 3,5-hydroxybenzoate | BDBM50428392 | Lead ...
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Methyl 3,4-DihydroxybenzoateCas Number: 2150-43-8Formula: C8H8O4 Molecular Weight: 168.15IUPAC Name: methyl 3,4-dihydroxybenzoateSMILES: COC(=O)C1=CC(=C(C=C1)O)OInChIKey: CUFLZUDASVUNOE-UHFFFAOYSA-NInChI: InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3Synonyms: 3,4-Dihydroxybenzoic Acid Methyl Ester | Methyl protocatechuate | Protocatechuic Acid Methyl Ester
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Methyl 4-hydroxybenzoateCas Number: 99-76-3 EC Number: 243-171-5Formula: C8H8O3 Molecular Weight: 152.15IUPAC Name: methyl 4-hydroxybenzoateSMILES: COC(=O)C1=CC=C(C=C1)OInChIKey: LXCFILQKKLGQFO-UHFFFAOYSA-NInChI: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3Synonyms: Methyl 4-hydroxybenzoate | METHYLPARABEN | Methyl p-hydroxybenzoate | Methyl paraben | Nipagin | Methyl parahydroxybe...
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Saccharin, Agonist of TAS2R31;Agonist of TAS2R43Cas Number: 81-07-2 EC Number: 201-321-0, 228-971-8 Compound CID: 5143Formula: C7H5NO3S Molecular Weight: 183.18IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-oneSMILES: C1=CC=C2C(=C1)C(=O)NS2(=O)=OInChIKey: CVHZOJJKTDOEJC-UHFFFAOYSA-NInChI: InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)Synonyms: AI3-38107 | 1,1-Dioxide-1,2-benzisothiazolin-3-one | HSDB 669 | 1,2-Dihydro-2-ketobenzisosulphonazole | Benzosulfinid...
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TrifluoromethanesulfonamideCas Number: 421-85-2Formula: CH2F3NO2S Molecular Weight: 149.09IUPAC Name: trifluoromethanesulfonamideSMILES: C(F)(F)(F)S(=O)(=O)NInChIKey: KAKQVSNHTBLJCH-UHFFFAOYSA-NInChI: InChI=1S/CH2F3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)Synonyms: 1,1,1-Trifluoromethanesulfonamide
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4-Sulfamylbenzoic acidFormula: C7H7NO4S Molecular Weight: 201.2IUPAC Name: 4-sulfamoylbenzoic acidSMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)NInChIKey: UCAGLBKTLXCODC-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)Synonyms: Tox21_110021 | Carzenidum [INN-Latin] | Maybridge1_002385 | Z53021532 | aromatic/heteroaromatic sulfonamide 23 | JMC5...
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4-(2-Aminoethyl)benzenesulfonamideCas Number: 35303-76-5 EC Number: 252-501-0Formula: C8H12N2O2S Molecular Weight: 200.26IUPAC Name: 4-(2-aminoethyl)benzenesulfonamideSMILES: C1=CC(=CC=C1CCN)S(=O)(=O)NInChIKey: FXNSVEQMUYPYJS-UHFFFAOYSA-NInChI: InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)Synonyms: 2-(4-sulfamoylphenyl)ethylamine | 2-(4-sulfamoyl-phenyl)-ethyl-amine | 4-(2-amino ethyl)benzene sulfonamide | 4-(2-Am...
