Organic acids and derivatives
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Sodium Citrate ACS AR Crystal, Macron Fine Chemicals™
CAS: 4-3-6132 Molecular Formula: C6H9Na3O9 Molecular Weight (g/mol): 294.10 InChI Key: NLJMYIDDQXHKNR-UHFFFAOYSA-K Synonym: trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate PubChem CID: 71474 ChEBI: CHEBI:32142 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
| PubChem CID | 71474 |
|---|---|
| CAS | 4-3-6132 |
| Molecular Weight (g/mol) | 294.10 |
| ChEBI | CHEBI:32142 |
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+] |
| Synonym | trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate |
| IUPAC Name | trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate |
| InChI Key | NLJMYIDDQXHKNR-UHFFFAOYSA-K |
| Molecular Formula | C6H9Na3O9 |
2,2,2-Trifluoroethyl trifluoroacetate, 97+%, Thermo Scientific Chemicals
CAS: 407-38-5 Molecular Formula: C4H2F6O2 Molecular Weight (g/mol): 196.05 MDL Number: MFCD00000418 InChI Key: ZKUJOCJJXCPCFS-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate PubChem CID: 67888 IUPAC Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate SMILES: FC(F)(F)COC(=O)C(F)(F)F
| PubChem CID | 67888 |
|---|---|
| CAS | 407-38-5 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00000418 |
| SMILES | FC(F)(F)COC(=O)C(F)(F)F |
| Synonym | 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate |
| IUPAC Name | 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate |
| InChI Key | ZKUJOCJJXCPCFS-UHFFFAOYSA-N |
| Molecular Formula | C4H2F6O2 |
Methyl dichloroacetate, 99%
CAS: 116-54-1 Molecular Formula: C3H4Cl2O2 Molecular Weight (g/mol): 142.97 MDL Number: MFCD00000843 InChI Key: HKMLRUAPIDAGIE-UHFFFAOYSA-N Synonym: methyl dichloroacetate,dichloroacetic acid methyl ester,acetic acid, dichloro-, methyl ester,ccris 7740,acetic acid, 2,2-dichloro-, methyl ester,methyldichloroethanoate,acmc-1brpm,dichloroacetic acid methyl,methyl2,2-dichloroacetate,wln: gygvo1 PubChem CID: 8315 IUPAC Name: methyl 2,2-dichloroacetate SMILES: COC(=O)C(Cl)Cl
| PubChem CID | 8315 |
|---|---|
| CAS | 116-54-1 |
| Molecular Weight (g/mol) | 142.97 |
| MDL Number | MFCD00000843 |
| SMILES | COC(=O)C(Cl)Cl |
| Synonym | methyl dichloroacetate,dichloroacetic acid methyl ester,acetic acid, dichloro-, methyl ester,ccris 7740,acetic acid, 2,2-dichloro-, methyl ester,methyldichloroethanoate,acmc-1brpm,dichloroacetic acid methyl,methyl2,2-dichloroacetate,wln: gygvo1 |
| IUPAC Name | methyl 2,2-dichloroacetate |
| InChI Key | HKMLRUAPIDAGIE-UHFFFAOYSA-N |
| Molecular Formula | C3H4Cl2O2 |
Allyl methyl carbonate, 98%
CAS: 35466-83-2 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00134545 InChI Key: YHLVIDQQTOMBGN-UHFFFAOYSA-N Synonym: allyl methyl carbonate,methyl prop-2-en-1-yl carbonate,carbonic acid allyl methyl ester,isobutylene carbonate,methyl allyl carbonate,acmc-1agon,allyl methyl carbonate #,prop-2-enyl methoxyformate,yhlvidqqtombgn-uhfffaoysa PubChem CID: 534788 IUPAC Name: methyl prop-2-enyl carbonate SMILES: COC(=O)OCC=C
| PubChem CID | 534788 |
|---|---|
| CAS | 35466-83-2 |
| Molecular Weight (g/mol) | 116.12 |
| MDL Number | MFCD00134545 |
| SMILES | COC(=O)OCC=C |
| Synonym | allyl methyl carbonate,methyl prop-2-en-1-yl carbonate,carbonic acid allyl methyl ester,isobutylene carbonate,methyl allyl carbonate,acmc-1agon,allyl methyl carbonate #,prop-2-enyl methoxyformate,yhlvidqqtombgn-uhfffaoysa |
| IUPAC Name | methyl prop-2-enyl carbonate |
| InChI Key | YHLVIDQQTOMBGN-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
3,3-Diethoxy-1-propylboronic acid pinacol ester, 97%, Thermo Scientific Chemicals
CAS: 165904-27-8 Molecular Formula: C13H27BO4 Molecular Weight (g/mol): 258.165 MDL Number: MFCD03788723 InChI Key: VEDSPUPKZZMMLL-UHFFFAOYSA-N Synonym: 3,3-diethoxy-1-propylboronic acid pinacol ester,2-3,3-diethoxypropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-propanal diethyl acetal PubChem CID: 12115795 IUPAC Name: 2-(3,3-diethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)CCC(OCC)OCC
| PubChem CID | 12115795 |
|---|---|
| CAS | 165904-27-8 |
| Molecular Weight (g/mol) | 258.165 |
| MDL Number | MFCD03788723 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)CCC(OCC)OCC |
| Synonym | 3,3-diethoxy-1-propylboronic acid pinacol ester,2-3,3-diethoxypropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-propanal diethyl acetal |
| IUPAC Name | 2-(3,3-diethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | VEDSPUPKZZMMLL-UHFFFAOYSA-N |
| Molecular Formula | C13H27BO4 |
3-(3-Fluorophenyl)propionic acid, 97%
CAS: 458-45-7 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD01310821 InChI Key: UBLMRADOKLXLCD-UHFFFAOYSA-N PubChem CID: 2737489 IUPAC Name: 3-(3-fluorophenyl)propanoic acid SMILES: C1=CC(=CC(=C1)F)CCC(=O)O
| PubChem CID | 2737489 |
|---|---|
| CAS | 458-45-7 |
| Molecular Weight (g/mol) | 168.167 |
| MDL Number | MFCD01310821 |
| SMILES | C1=CC(=CC(=C1)F)CCC(=O)O |
| IUPAC Name | 3-(3-fluorophenyl)propanoic acid |
| InChI Key | UBLMRADOKLXLCD-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
Pentaethylene glycol di-p-toluenesulfonate, 90+%
CAS: 41024-91-3 Molecular Formula: C24H34O10S2 Molecular Weight (g/mol): 546.646 MDL Number: MFCD00012204 InChI Key: BUHGDYPBQWWWQS-UHFFFAOYSA-N Synonym: 3,6,9,12-tetraoxatetradecane-1,14-diyl bis 4-methylbenzenesulfonate,pentaethylene glycol ditosylate,pentaethylene glycol di-p-toluenesulfonate,pentaethylene glycol di p-toluenesulfonate,tos-peg6-tos,3,6,9,12-tetraoxatetradecane-1,14-diol, bis 4-methylbenzenesulfonate,pentaethylene glycol d p-toluenesulfonate,penta ethylene glycol di-p-toluenesulfonate,3,6,9,12-tetraoxatetradecane-1,14-diyl ditosylate PubChem CID: 361968 IUPAC Name: 2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C
| PubChem CID | 361968 |
|---|---|
| CAS | 41024-91-3 |
| Molecular Weight (g/mol) | 546.646 |
| MDL Number | MFCD00012204 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C |
| Synonym | 3,6,9,12-tetraoxatetradecane-1,14-diyl bis 4-methylbenzenesulfonate,pentaethylene glycol ditosylate,pentaethylene glycol di-p-toluenesulfonate,pentaethylene glycol di p-toluenesulfonate,tos-peg6-tos,3,6,9,12-tetraoxatetradecane-1,14-diol, bis 4-methylbenzenesulfonate,pentaethylene glycol d p-toluenesulfonate,penta ethylene glycol di-p-toluenesulfonate,3,6,9,12-tetraoxatetradecane-1,14-diyl ditosylate |
| IUPAC Name | 2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate |
| InChI Key | BUHGDYPBQWWWQS-UHFFFAOYSA-N |
| Molecular Formula | C24H34O10S2 |
Ethyl 4-hydroxy-3-methoxycinnamate, 98%
CAS: 4046-02-0 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009190 InChI Key: ATJVZXXHKSYELS-FNORWQNLSA-N Synonym: ethyl ferulate,ferulic acid ethyl ester,ethyl 3-4-hydroxy-3-methoxyphenyl acrylate,unii-5b8915uelw,ethyl 4'-hydroxy-3'-methoxycinnamate,e-ethyl 3-4-hydroxy-3-methoxyphenyl acrylate,ethyl 2e-3-4-hydroxy-3-methoxyphenyl prop-2-enoate,ethyl 4-hydroxy-3-methoxycinnamate,e-3-4-hydroxy-3-methoxy-phenyl-acrylic acid ethyl ester,ethyl 4-hydroxy-3-methoxycinnamate ferulic acid ethyl ester PubChem CID: 736681 IUPAC Name: ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate SMILES: CCOC(=O)C=CC1=CC(=C(C=C1)O)OC
| PubChem CID | 736681 |
|---|---|
| CAS | 4046-02-0 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00009190 |
| SMILES | CCOC(=O)C=CC1=CC(=C(C=C1)O)OC |
| Synonym | ethyl ferulate,ferulic acid ethyl ester,ethyl 3-4-hydroxy-3-methoxyphenyl acrylate,unii-5b8915uelw,ethyl 4'-hydroxy-3'-methoxycinnamate,e-ethyl 3-4-hydroxy-3-methoxyphenyl acrylate,ethyl 2e-3-4-hydroxy-3-methoxyphenyl prop-2-enoate,ethyl 4-hydroxy-3-methoxycinnamate,e-3-4-hydroxy-3-methoxy-phenyl-acrylic acid ethyl ester,ethyl 4-hydroxy-3-methoxycinnamate ferulic acid ethyl ester |
| IUPAC Name | ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| InChI Key | ATJVZXXHKSYELS-FNORWQNLSA-N |
| Molecular Formula | C12H14O4 |
Sodium Lactate Solution, FCC, 60%, Spectrum™ Chemical
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Molecular Formula: C3H5NaO3 Molecular Weight (g/mol): 112.06 InChI Key: NGSFWBMYFKHRBD-UHFFFAOYNA-M IUPAC Name: sodium 2-hydroxypropanoate SMILES: [Na+].CC(O)C([O-])=O
| Molecular Weight (g/mol) | 112.06 |
|---|---|
| SMILES | [Na+].CC(O)C([O-])=O |
| IUPAC Name | sodium 2-hydroxypropanoate |
| InChI Key | NGSFWBMYFKHRBD-UHFFFAOYNA-M |
| Molecular Formula | C3H5NaO3 |
Mercaptoacetic acid sodium salt, 97%
CAS: 367-51-1 Molecular Formula: C2H3NaO2S Molecular Weight (g/mol): 114.094 MDL Number: MFCD00043386 InChI Key: GNBVPFITFYNRCN-UHFFFAOYSA-M Synonym: sodium thioglycolate,sodium mercaptoacetate,mercaptoacetic acid sodium salt,mollescal sf,sodium 2-sulfanylacetate,thioglycolate sodium,sodium thioglycollate,mercaptoacetic acid, sodium salt,erhavit d,sodium 2-mercatoethanoate PubChem CID: 23690444 ChEBI: CHEBI:86481 IUPAC Name: sodium;2-sulfanylacetate SMILES: C(C(=O)[O-])S.[Na+]
| PubChem CID | 23690444 |
|---|---|
| CAS | 367-51-1 |
| Molecular Weight (g/mol) | 114.094 |
| ChEBI | CHEBI:86481 |
| MDL Number | MFCD00043386 |
| SMILES | C(C(=O)[O-])S.[Na+] |
| Synonym | sodium thioglycolate,sodium mercaptoacetate,mercaptoacetic acid sodium salt,mollescal sf,sodium 2-sulfanylacetate,thioglycolate sodium,sodium thioglycollate,mercaptoacetic acid, sodium salt,erhavit d,sodium 2-mercatoethanoate |
| IUPAC Name | sodium;2-sulfanylacetate |
| InChI Key | GNBVPFITFYNRCN-UHFFFAOYSA-M |
| Molecular Formula | C2H3NaO2S |
N,N-Dimethylformamide, 99.8%, for spectroscopy
CAS: 68-12-2 Molecular Formula: C3H7NO Molecular Weight (g/mol): 73.10 MDL Number: MFCD00003284 InChI Key: ZMXDDKWLCZADIW-UHFFFAOYSA-N Synonym: dimethylformamide,dimethyl formamide,n,n-dimethylmethanamide,n-formyldimethylamine,formamide, n,n-dimethyl,dmf,dimethylformamid,dimetilformamide,dwumetyloformamid,dmfa PubChem CID: 6228 ChEBI: CHEBI:17741 IUPAC Name: N,N-dimethylformamide SMILES: CN(C)C=O
| PubChem CID | 6228 |
|---|---|
| CAS | 68-12-2 |
| Molecular Weight (g/mol) | 73.10 |
| ChEBI | CHEBI:17741 |
| MDL Number | MFCD00003284 |
| SMILES | CN(C)C=O |
| Synonym | dimethylformamide,dimethyl formamide,n,n-dimethylmethanamide,n-formyldimethylamine,formamide, n,n-dimethyl,dmf,dimethylformamid,dimetilformamide,dwumetyloformamid,dmfa |
| IUPAC Name | N,N-dimethylformamide |
| InChI Key | ZMXDDKWLCZADIW-UHFFFAOYSA-N |
| Molecular Formula | C3H7NO |
Allylboronic acid pinacol ester, 98%
CAS: 72824-04-5 Molecular Formula: C9H17BO2 Molecular Weight (g/mol): 168.04 MDL Number: MFCD00013347 InChI Key: YMHIEPNFCBNQQU-UHFFFAOYSA-N Synonym: allylboronic acid pinacol ester,2-allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,allylboronic acid, pinacol cyclic ester,4,4,5,5-tetramethyl-2-prop-2-en-1-yl-1,3,2-dioxaborolane,allylboronic acid piracol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-propenyl,2-prop-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,allylboronicacidpinacolester,pinacol allylboronate,abape PubChem CID: 2763171 IUPAC Name: 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(CC=C)OC1(C)C
| PubChem CID | 2763171 |
|---|---|
| CAS | 72824-04-5 |
| Molecular Weight (g/mol) | 168.04 |
| MDL Number | MFCD00013347 |
| SMILES | CC1(C)OB(CC=C)OC1(C)C |
| Synonym | allylboronic acid pinacol ester,2-allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,allylboronic acid, pinacol cyclic ester,4,4,5,5-tetramethyl-2-prop-2-en-1-yl-1,3,2-dioxaborolane,allylboronic acid piracol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-propenyl,2-prop-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,allylboronicacidpinacolester,pinacol allylboronate,abape |
| IUPAC Name | 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane |
| InChI Key | YMHIEPNFCBNQQU-UHFFFAOYSA-N |
| Molecular Formula | C9H17BO2 |
Urea, MP Biomedicals™
CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N
| PubChem CID | 1176 |
|---|---|
| CAS | 57-13-6 |
| Molecular Weight (g/mol) | 60.056 |
| ChEBI | CHEBI:48376 |
| SMILES | C(=O)(N)N |
| Synonym | carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate |
| IUPAC Name | urea |
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |
Methyl 2-oxoindoline-7-carboxylate, 96%, Thermo Scientific Chemicals
CAS: 380427-39-4 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD02179610 InChI Key: XVJRNLIMSQFUAI-UHFFFAOYSA-N Synonym: methyl 2-oxoindoline-7-carboxylate,methyl oxindole-7-carboxylate,methyl 2-oxo-2,3-dihydro-1h-indole-7-carboxylate,1h-indole-7-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester,acmc-1aje4,methyl oxindole-7-carboxylate,,methyl 2-oxindole-7-carboxylate,2-oxyindole-7-carboxylic acid methyl ester,1h-indole-7-carboxylicacid, 2,3-dihydro-2-oxo-, methyl ester PubChem CID: 2773518 IUPAC Name: methyl 2-oxo-1,3-dihydroindole-7-carboxylate SMILES: COC(=O)C1=C2C(=CC=C1)CC(=O)N2
| PubChem CID | 2773518 |
|---|---|
| CAS | 380427-39-4 |
| Molecular Weight (g/mol) | 191.186 |
| MDL Number | MFCD02179610 |
| SMILES | COC(=O)C1=C2C(=CC=C1)CC(=O)N2 |
| Synonym | methyl 2-oxoindoline-7-carboxylate,methyl oxindole-7-carboxylate,methyl 2-oxo-2,3-dihydro-1h-indole-7-carboxylate,1h-indole-7-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester,acmc-1aje4,methyl oxindole-7-carboxylate,,methyl 2-oxindole-7-carboxylate,2-oxyindole-7-carboxylic acid methyl ester,1h-indole-7-carboxylicacid, 2,3-dihydro-2-oxo-, methyl ester |
| IUPAC Name | methyl 2-oxo-1,3-dihydroindole-7-carboxylate |
| InChI Key | XVJRNLIMSQFUAI-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3 |
Methyl Acetate, 96%, Spectrum™ Chemical
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CAS: 79-20-9
| CAS | 79-20-9 |
|---|