Reference Materials
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Folic acidCas#: 59-30-3 Compound CID: 135398658Formula: C19H19N7O6 Molecular Weight: 441.4IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acidSMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)NInChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-NInChI: InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1Synonyms: .beta.-D-Allopyranose, 1,6-anhydro-2,3-di-O-methyl-4-O-(phenylmethyl)- | CHEBI:27470 | DTXCID102519 | Foldine (France...
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Nicotinic acidCas#: 59-67-6 Compound CID: 938Formula: C6H5NO2 Molecular Weight: 123.11IUPAC Name: pyridine-3-carboxylic acidSMILES: C1=CC(=CN=C1)C(=O)OInChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-NInChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)Synonyms: P.P. factor-pellagra preventive factor | niacin | vitamin B3 | 3-Picolinic acid | Kyselina nikotinova [Czech] | Niaci...
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AnthraquinoneCas#: 84-65-1Formula: C14H8O2 Molecular Weight: 208.21IUPAC Name: anthracene-9,10-dioneSMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=OInChIKey: RZVHIXYEVGDQDX-UHFFFAOYSA-NInChI: InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8HSynonyms: Anthracene,10-dihydro-9,10-dioxo- | Anthraquinone, 97% | Spectrum3_001501 | Morkit | 9,10-dihydroanthracene-9,10-dion...
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NaphthaleneCas#: 91-20-3 Compound CID: 931Formula: C10H8 Molecular Weight: 128.17IUPAC Name: naphthaleneSMILES: C1=CC=C2C=CC=CC2=C1InChIKey: UFWIBTONFRDIAS-UHFFFAOYSA-NInChI: InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8HSynonyms: Mighty RD1 | MLS001055498 | NSC37565 | NSC-37565 | UN2304 | Mighty 150 | naftaleno | Tox21_202004 | WLN: L66J | Moth ...
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AcetanilideCas#: 103-84-4 Compound CID: 904Formula: C8H9NO Molecular Weight: 135.16IUPAC Name: N-phenylacetamideSMILES: CC(=O)NC1=CC=CC=C1InChIKey: FZERHIULMFGESH-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)Synonyms: ACETIC ACID,AMIDE,N-PHENYL | N-acetylarylamine | NCGC00091326-01 | N-Phenylacetamide | N-Phenyl-acetamide | PARACETAM...
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ImidazoleCas#: 288-32-4 Compound CID: 795Formula: C3H4N2 Molecular Weight: 68.08IUPAC Name: 1H-imidazoleSMILES: C1=CN=CN1InChIKey: RAXXELZNTBOGNW-UHFFFAOYSA-NInChI: InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)Synonyms: CHEBI:14434 | 1H-Imidazole | BRN 0103853 | SILDENAFIL CITRATE IMPURITY E [EP IMPURITY] | BDBM7882 | I0001 | Imidazole...
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4-Nitrobenzoic acidCas#: 62-23-7 Compound CID: 6108Formula: C7H5NO4 Molecular Weight: 167.12IUPAC Name: 4-nitrobenzoic acidSMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]InChIKey: OTLNPYWUJOZPPA-UHFFFAOYSA-NInChI: InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)Synonyms: 4-NITROBENZOIC ACID|p-Nitrobenzoic acid|62-23-7|Benzoic acid, 4-nitro-|Nitrodracylic acid|4-Nitrodracylic acid|1-Carb...
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Adipic acidCas#: 124-04-9 Compound CID: 196Formula: C6H10O4 Molecular Weight: 146.14IUPAC Name: hexanedioic acidSMILES: C(CCC(=O)O)CC(=O)OInChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-NInChI: InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)Synonyms: Adi-pure | EINECS 204-673-3 | HOOC-(CH2)4-COOH | adipate | Adipic acid, Vetec(TM) reagent grade, >=99% | ADIPIC-1,6-1...
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AnthraceneCas#: 120-12-7 Compound CID: 8418Formula: C14H10 Molecular Weight: 178.23IUPAC Name: anthraceneSMILES: C1=CC=C2C=C3C=CC=CC3=CC2=C1InChIKey: MWPLVEDNUUSJAV-UHFFFAOYSA-NInChI: InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10HSynonyms: ANTHRACENE|120-12-7|Paranaphthalene|Anthracin|Tetra Olive N2G|Anthracen|Anthrazen|Anthracene, pure|Anthracen [German]...
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Benzoic acidCas#: 65-85-0 Compound CID: 243Formula: C7H6O2 Molecular Weight: 122.12IUPAC Name: benzoic acidSMILES: C1=CC=C(C=C1)C(=O)OInChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-NInChI: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)Synonyms: Eyelids Wipes | Benzoic acid (USP:JAN) | Benzoic acid [USP:JAN] | NSC7918 | Benzenecarboxylate | Benzoic Acid 2000 mi...
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BiphenylCas#: 92-52-4 Compound CID: 7095Formula: C12H10 Molecular Weight: 154.21IUPAC Name: 1,1'-biphenylSMILES: C1=CC=C(C=C1)C2=CC=CC=C2InChIKey: ZUOUZKKEUPVFJK-UHFFFAOYSA-NInChI: InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10HSynonyms: BNL | DIPHENYL [MI] | STL264192 | Tox21_202108 | Xenene | Biphenyl-UL-14C | DIPHENYL [MART.] | Biphenyl | bi-phenyl |...
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CarbazoleCas#: 86-74-8Formula: C12H9N Molecular Weight: 167.21IUPAC Name: 9H-carbazoleSMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2InChIKey: UJOBWOGCFQCDNV-UHFFFAOYSA-NInChI: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13HSynonyms: 9-H-carbazole | 9H-Carbazole | C3722 | Dibenzo(b,d)pyrrole | CAS-86-74-8 | HSDB 2164 | DTXSID4020248 | para-carbazole...
