Reference Materials
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Acetic acidCas#: 64-19-7Formula: CH3CO2H Molecular Weight: 60.05IUPAC Name: acetic acidSMILES: CC(=O)OInChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-NInChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)Synonyms: acetic acid|ethanoic acid|64-19-7|Ethylic acid|Vinegar acid|Acetic acid glacial|Glacial acetic acid|Acetic acid, glac...
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Valeric acidCas#: 109-52-4 Compound CID: 7991Formula: C5H10O2 Molecular Weight: 102.13IUPAC Name: pentanoic acidSMILES: CCCCC(=O)OInChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-NInChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)Synonyms: Valeric acid|PENTANOIC ACID|n-Valeric acid|109-52-4|n-Pentanoic acid|Valerianic acid|1-Butanecarboxylic acid|Propylac...
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Cimaterol, Agonist of β 1-adrenoceptor;Agonist of β 2-adrenoceptorCas#: 54239-37-1 Compound CID: 2755Formula: C12H17N3O Molecular Weight: 219.28IUPAC Name: 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrileSMILES: CC(C)NCC(C1=CC(=C(C=C1)N)C#N)OInChIKey: BUXRLJCGHZZYNE-UHFFFAOYSA-NInChI: InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3Synonyms: cimaterol|54239-37-1|Cimater|Cimaterolum|AB-A 663|AC 263,780|2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitr...
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6-Propyl-2-thiouracil, Thyroid peroxidase inhibitorCas#: 51-52-5 Compound CID: 657298Formula: C7H10N2OS Molecular Weight: 170.23IUPAC Name: 6-propyl-2-sulfanylidene-1H-pyrimidin-4-oneSMILES: CCCC1=CC(=O)NC(=S)N1InChIKey: KNAHARQHSZJURB-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)Synonyms: BSPBio_000387 | PROPYLTHIOURACIL [IARC] | PROPYLTHIOURACIL [EP MONOGRAPH] | Propylthiouracil; 2,3-dihydro-6-propyl-2-...
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Isobutyric acidCas#: 79-31-2 Compound CID: 6590Formula: C4H8O2 Molecular Weight: 88.11IUPAC Name: 2-methylpropanoic acidSMILES: CC(C)C(=O)OInChIKey: KQNPFQTWMSNSAP-UHFFFAOYSA-NInChI: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)Synonyms: .alpha.-Methylpropionic acid | InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6 | 1iup | STR03465 | alpha-Methylpropionat...
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Propionic acid, Agonist of FFA2 receptor;Agonist of FFA3 receptorCas#: 79-09-4 Compound CID: 1032Formula: C3H6O2 Molecular Weight: 74.08IUPAC Name: propanoic acidSMILES: CCC(=O)OInChIKey: XBDQKXXYIPTUBI-UHFFFAOYSA-NInChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)Synonyms: EPA Pesticide Chemical Code 077702 | GTPL1062 | INS NO.280 | Tox21_304030 | LMFA01010003 | methylacetic acid | PROPIO...
