Carboxylic acids and derivatives
Methyl 6-methoxyindole-2-carboxylate, 97%
CAS: 98081-83-5 Molecular Formula: C11H11NO3 Molecular Weight (g/mol): 205.21 MDL Number: MFCD00134301 InChI Key: OPUUCOLVBDQWEY-UHFFFAOYSA-N Synonym: methyl 6-methoxy-2-indolecarboxylate,6-methoxy-1h-indole-2-carboxylic acid methyl ester,methyl-6-methoxy-2-indolecarboxylate,methyl 6-methoxy-indole-2-carboxylate,6-methoxyindole-2-carboxylic acid methyl ester,methyl 6-methoxyindole-2-carboxylate,1h-indole-2-carboxylic acid, 6-methoxy-, methyl ester,methyl 6-methoxy-2-indolecarboxylat,pubchem7251,6-methoxy-2-indolecarboxylate PubChem CID: 688173 IUPAC Name: methyl 6-methoxy-1H-indole-2-carboxylate SMILES: COC(=O)C1=CC2=CC=C(OC)C=C2N1
n-Butylidenephthalide, (E)+(Z), 95%
CAS: 551-08-6 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00047319,MFCD00047319 InChI Key: WMBOCUXXNSOQHM-DHZHZOJOSA-N Synonym: ligusticum lactone,butylidene phthalide,n-butylidene phthalide,3-butylidene-1 3h-isobenzofuranone,3-butylidenephthalide,phthalide, 3-butylidene,fema no. 3333,bdph,3-butylidene phthalide,1 3h-isobenzofuranone, 3-butylidene PubChem CID: 5352899 IUPAC Name: (3E)-3-butylidene-2-benzofuran-1-one SMILES: CCC\C=C1\OC(=O)C2=CC=CC=C12
1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid, 97%
CAS: 50920-65-5 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.169 MDL Number: MFCD00156147 InChI Key: VFMGOJUUTAPPDA-UHFFFAOYSA-N Synonym: 1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid,1-ethyl-3-methylpyrazole-5-carboxylic acid,2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-ethyl-3-methyl,maybridge1_008579,acmc-20aovb,1-ethyl-3-methyl-1h-pyrazole-5-carboxylicacid,1-ethyl-3-methylpyrazole-5-carboxylic,1h-pyrazole-5-carboxylicacid, 1-ethyl-3-methyl PubChem CID: 2743794 IUPAC Name: 2-ethyl-5-methylpyrazole-3-carboxylic acid SMILES: CCN1C(=CC(=N1)C)C(=O)O
tert-Butyl propiolate, 98%
CAS: 13831-03-3 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00060100 InChI Key: XGTPDIIFEPTULX-UHFFFAOYSA-N Synonym: tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # PubChem CID: 543038 IUPAC Name: tert-butyl prop-2-ynoate SMILES: CC(C)(C)OC(=O)C#C
2-Ethylhexyl acetate, 99%, pure
CAS: 103-09-3 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00027249 InChI Key: WOYWLLHHWAMFCB-UHFFFAOYNA-N Synonym: acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove PubChem CID: 7635 ChEBI: CHEBI:87392 IUPAC Name: 2-ethylhexyl acetate SMILES: CCCCC(CC)COC(C)=O
Citric acid, monosodium salt, 99%, for analysis, anhydrous
CAS: 18996-35-5 Molecular Formula: C6H7NaO7 Molecular Weight (g/mol): 214.11 InChI Key: SLWOXBQHKZPUNY-UHFFFAOYSA-N Synonym: bicitra,pneucid,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt,sodium dihydrogen citrate anhydrous,citric acid, sodium salt,citric acid sodium,sodium 2-hydroxy-1,2,3-propanetricarboxylate,2-hydroxypropane-1,2,3-tricarboxylic acid; sodium,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt 1:? PubChem CID: 131675399 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;molecular hydrogen;sodium SMILES: [HH].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na]
Thermo Scientific Chemicals Sodium benzoate, 99%, for biochemistry
CAS: 532-32-1 Molecular Formula: C7H5NaO2 Molecular Weight (g/mol): 144.11 MDL Number: MFCD00012463 InChI Key: WXMKPNITSTVMEF-UHFFFAOYSA-M Synonym: sodium benzoate,benzoic acid, sodium salt,benzoic acid sodium salt,sobenate,antimol,benzoate sodium,benzoate of soda,benzoate, sodium,natrium benzoicum,caswell no. 746 PubChem CID: 517055 IUPAC Name: sodium;benzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC=C1
Thermo Scientific Chemicals Thymolphthalexone
CAS: 1913-93-5 Molecular Formula: C38H44N2O12 Molecular Weight (g/mol): 720.77 MDL Number: MFCD00001619 InChI Key: AGXCADFSYJNMEG-UHFFFAOYNA-N Synonym: thymolphthalexone,thymolphthalein complexon,thymolphthalein complexone,thymolphthalexon,thymolphthalein-3,3'-bismethyliminodiacetic acid,3-1-3-bis carboxymethyl amino methyl-4-hydroxy-5-isopropyl-2-methylphenyl-3-oxo-2-benzofuran-1-yl-6-hydroxy-5-isopropyl-2-methylphenyl methyl carboxymethyl amino acetic acid,n,n'-3-oxo-1 3h-isobenzofuranylidene bis 6-hydroxy-2-methyl-5-1-methylethyl-3,1-phenylene methylene bis n-carboxymethyl glycine,thymophthalexon,3',3-bis n,n-di carboxymethyl aminomethyl thymolphthalein,2,2',2,2'-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl bis 6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene methylenenitrilo tetraacetic acid PubChem CID: 112918 IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid SMILES: CC(C)C1=CC(=C(C)C(C[NH+](CC(O)=O)CC([O-])=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C(C)C)=C(O)C(C[NH+](CC(O)=O)CC([O-])=O)=C1C
Methyl cyclopentanecarboxylate, 97%
CAS: 4630-80-2 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00019290 InChI Key: IIHIJFJSXPDTNO-UHFFFAOYSA-N Synonym: cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl PubChem CID: 78365 IUPAC Name: methyl cyclopentanecarboxylate SMILES: COC(=O)C1CCCC1
3-(Tritylthio)propionic acid, 97%
CAS: 27144-18-9 Molecular Formula: C22H20O2S Molecular Weight (g/mol): 348.46 MDL Number: MFCD00237291 InChI Key: AECGEIVNZGQBJT-UHFFFAOYSA-N Synonym: 3-tritylthio propanoic acid,s-trityl-3-mercaptopropionic acid,3-tritylthio propionic acid,3-tritylsulfanylpropionic acid,3-triphenylmethyl sulfanyl propanoic acid,3-tritylsulfanyl-propionic acid,3-tritylmercapto propionic acid,s-trityl-beta-mercaptopropionic acid,propanoic acid, 3-triphenylmethyl thio,3-tritylsulfanyl propanoic acid PubChem CID: 262767 IUPAC Name: 3-tritylsulfanylpropanoic acid SMILES: OC(=O)CCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Benzyl cyanoacetate, 97%
CAS: 14447-18-8 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00051719 InChI Key: RCUIWQWWDLZNMS-UHFFFAOYSA-N Synonym: benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid PubChem CID: 560818 IUPAC Name: benzyl 2-cyanoacetate SMILES: O=C(CC#N)OCC1=CC=CC=C1
BAPTA, 97%
CAS: 85233-19-8 Molecular Formula: C22H24N2O10 Molecular Weight (g/mol): 476.44 MDL Number: MFCD00036255 InChI Key: FTEDXVNDVHYDQW-UHFFFAOYSA-N Synonym: bapta,bapeta,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,ca ii-bapta,1,2-bis-2-aminophenoxy ethane n,n,n',n'-tetraacetic acid,unii-k22ddw77c0,1,2-bis o-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,bapta tetrasodium salt hydrate,glycine, n,n'-1,2-ethanediylbis oxy-2,1-phenylene bis n-carboxymethyl,2,2',2,2'-ethane-1,2-diylbis oxy-2,1-phenylenenitrilo tetraacetic acid PubChem CID: 104751 ChEBI: CHEBI:60888 IUPAC Name: 2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid SMILES: OC(=O)CN(CC(O)=O)C1=CC=CC=C1OCCOC1=CC=CC=C1N(CC(O)=O)CC(O)=O
Ethyl 4-bromocrotonate, tech. 80%
CAS: 37746-78-4 Molecular Formula: C6H9BrO2 Molecular Weight (g/mol): 193.04 MDL Number: MFCD00000247 InChI Key: FHGRPBSDPBRTLS-ONEGZZNKSA-N Synonym: ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate PubChem CID: 5373944 IUPAC Name: ethyl (E)-4-bromobut-2-enoate SMILES: CCOC(=O)C=CCBr
1,1-Cyclopropanedicarboxylic acid monomethyl ester, 97%
CAS: 113020-21-6 Molecular Formula: C6H8O4 Molecular Weight (g/mol): 144.126 MDL Number: MFCD06800496 InChI Key: IZYOHLOUZVEIOS-UHFFFAOYSA-N Synonym: 1-methoxycarbonyl cyclopropanecarboxylic acid,1,1-cyclopropanedicarboxylic acid monomethyl ester,1-methoxycarbonyl cyclopropane-1-carboxylic acid,cyclopropane-1,1-dicarboxylic acid, methyl ester,1-methoxycarbonylcyclopropanecarboxylic acid,1,1-cyclopropanedicarboxylic acid-1-methyl ester,1-methoxycarbonyl cyclopropanecarboxylicacid,acmc-1c7y7,methyl cyclopropane-1,1-dicarboxylate,1-methoxycarbonylcyclopropane carboxylic acid PubChem CID: 13861823 IUPAC Name: 1-methoxycarbonylcyclopropane-1-carboxylic acid SMILES: COC(=O)C1(CC1)C(=O)O
3-Pyrazolidinone hydrochloride, 98%
CAS: 1752-88-1 Molecular Formula: C3H7ClN2O Molecular Weight (g/mol): 122.55 MDL Number: MFCD00043787 InChI Key: HAYWTXQRYXYRAF-UHFFFAOYSA-N Synonym: 3-pyrazolidinone hydrochloride,pyrazolidin-3-one hydrochloride,4,5-dihydro-1h-pyrazol-3-ol hydrochloride,3-pyrazolidinone, monohydrochloride,tetrahydro-3h-pyrazol-3-one hydrochloride,3-pyrazolidinone hcl,3-pyrazolidone hydrochloride,ksc493k0l,pyrazolidin-3-on-hydrochloride,pyrazolidin-3-one hydrogen chloride PubChem CID: 2733712 SMILES: [H+].[Cl-].O=C1CCNN1