Organic acids and derivatives
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Dimethyl Octafluoroadipate 97.0+%, TCI America™
CAS: 3107-98-0 Molecular Formula: C8H6F8O4 Molecular Weight (g/mol): 318.119 MDL Number: MFCD00042267 InChI Key: XPXVIIILXUOEQA-UHFFFAOYSA-N Synonym: dimethyl octafluoroadipate,dimethyl perfluoroadipate,hexanedioic acid, octafluoro-, dimethyl ester,1,6-dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate,dimethyloctafluoroadipate,acmc-1cson,dimethyl octafluoroadipinate,dimethyl octafluorohexanedioate,perfluoroadipic acid dimethyl ester,octafluoroadipic acid dimethyl ester PubChem CID: 2737117 IUPAC Name: dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate SMILES: COC(=O)C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F
| PubChem CID | 2737117 |
|---|---|
| CAS | 3107-98-0 |
| Molecular Weight (g/mol) | 318.119 |
| MDL Number | MFCD00042267 |
| SMILES | COC(=O)C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F |
| Synonym | dimethyl octafluoroadipate,dimethyl perfluoroadipate,hexanedioic acid, octafluoro-, dimethyl ester,1,6-dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate,dimethyloctafluoroadipate,acmc-1cson,dimethyl octafluoroadipinate,dimethyl octafluorohexanedioate,perfluoroadipic acid dimethyl ester,octafluoroadipic acid dimethyl ester |
| IUPAC Name | dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate |
| InChI Key | XPXVIIILXUOEQA-UHFFFAOYSA-N |
| Molecular Formula | C8H6F8O4 |
Propionamide 98.0+%, TCI America™
CAS: 79-05-0 Molecular Formula: C3H7NO Molecular Weight (g/mol): 73.095 MDL Number: MFCD00008039 InChI Key: QLNJFJADRCOGBJ-UHFFFAOYSA-N Synonym: propionamide,propylamide,propionic amide,propionimidic acid,propanimidic acid,propionic acid amide,amid kyseliny propionove,propanimidic acid van,propionimidic acid van,unii-qk07g0hp47 PubChem CID: 6578 ChEBI: CHEBI:45422 IUPAC Name: propanamide SMILES: CCC(=O)N
| PubChem CID | 6578 |
|---|---|
| CAS | 79-05-0 |
| Molecular Weight (g/mol) | 73.095 |
| ChEBI | CHEBI:45422 |
| MDL Number | MFCD00008039 |
| SMILES | CCC(=O)N |
| Synonym | propionamide,propylamide,propionic amide,propionimidic acid,propanimidic acid,propionic acid amide,amid kyseliny propionove,propanimidic acid van,propionimidic acid van,unii-qk07g0hp47 |
| IUPAC Name | propanamide |
| InChI Key | QLNJFJADRCOGBJ-UHFFFAOYSA-N |
| Molecular Formula | C3H7NO |
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid 97.0+%, TCI America™
CAS: 60239-18-1 Molecular Formula: C16H28N4O8 Molecular Weight (g/mol): 404.42 MDL Number: MFCD00068657 InChI Key: WDLRUFUQRNWCPK-UHFFFAOYSA-N Synonym: DOTA PubChem CID: 121841 ChEBI: CHEBI:61028 IUPAC Name: 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid SMILES: C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
| PubChem CID | 121841 |
|---|---|
| CAS | 60239-18-1 |
| Molecular Weight (g/mol) | 404.42 |
| ChEBI | CHEBI:61028 |
| MDL Number | MFCD00068657 |
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O |
| Synonym | DOTA |
| IUPAC Name | 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| InChI Key | WDLRUFUQRNWCPK-UHFFFAOYSA-N |
| Molecular Formula | C16H28N4O8 |
Tebuthiuron 98.0+%, TCI America™
CAS: 34014-18-1 Molecular Formula: C9H16N4OS Molecular Weight (g/mol): 228.314 MDL Number: MFCD00078732 InChI Key: HBPDKDSFLXWOAE-UHFFFAOYSA-N Synonym: tebuthiuron,spike,graslan,perflan,brulan,tiurolan,prefmid,tebulan,brush bullet,1-5-tert-butyl-1,3,4-thiadiazol-2-yl-1,3-dimethylurea PubChem CID: 5383 ChEBI: CHEBI:81745 IUPAC Name: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea SMILES: CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC
| PubChem CID | 5383 |
|---|---|
| CAS | 34014-18-1 |
| Molecular Weight (g/mol) | 228.314 |
| ChEBI | CHEBI:81745 |
| MDL Number | MFCD00078732 |
| SMILES | CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC |
| Synonym | tebuthiuron,spike,graslan,perflan,brulan,tiurolan,prefmid,tebulan,brush bullet,1-5-tert-butyl-1,3,4-thiadiazol-2-yl-1,3-dimethylurea |
| IUPAC Name | 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea |
| InChI Key | HBPDKDSFLXWOAE-UHFFFAOYSA-N |
| Molecular Formula | C9H16N4OS |
5-Fluorooxindole 98.0+%, TCI America™
CAS: 56341-41-4 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD02179598 InChI Key: DDIIYGHHUMKDGI-UHFFFAOYSA-N Synonym: 5-fluorooxindole,5-fluoroindolin-2-one,5-fluoro-2-oxindole,5-fluoro-1,3-dihydro-2h-indol-2-one,2h-indol-2-one, 5-fluoro-1,3-dihydro,5-fluoro-1,3-dihydro-indol-2-one,5-fluoro-2-indolinone,5-fluoro-2,3-dihydro-1h-indol-2-one,5-fluoro indoline-2-one,5-fluoro-2,3-dihydro-2-oxoindole PubChem CID: 3731012 IUPAC Name: 5-fluoro-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)F)NC1=O
| PubChem CID | 3731012 |
|---|---|
| CAS | 56341-41-4 |
| Molecular Weight (g/mol) | 151.14 |
| MDL Number | MFCD02179598 |
| SMILES | C1C2=C(C=CC(=C2)F)NC1=O |
| Synonym | 5-fluorooxindole,5-fluoroindolin-2-one,5-fluoro-2-oxindole,5-fluoro-1,3-dihydro-2h-indol-2-one,2h-indol-2-one, 5-fluoro-1,3-dihydro,5-fluoro-1,3-dihydro-indol-2-one,5-fluoro-2-indolinone,5-fluoro-2,3-dihydro-1h-indol-2-one,5-fluoro indoline-2-one,5-fluoro-2,3-dihydro-2-oxoindole |
| IUPAC Name | 5-fluoro-1,3-dihydroindol-2-one |
| InChI Key | DDIIYGHHUMKDGI-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO |
Isobutyl Hexanoate 98.0+%, TCI America™
CAS: 105-79-3 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 MDL Number: MFCD00048870 InChI Key: UXUPPWPIGVTVQI-UHFFFAOYSA-N Synonym: isobutyl hexanoate,isobutyl caproate,hexanoic acid, 2-methylpropyl ester,hexanoic acid, isobutyl ester,2-methyl-1-propyl caproate,n-caproic acid isobutyl ester,isobutyl caproate natural,unii-2a3x4w9gz0,fema no. 2202,iso-butyl n-hexanoate PubChem CID: 7775 ChEBI: CHEBI:87421 IUPAC Name: 2-methylpropyl hexanoate SMILES: CCCCCC(=O)OCC(C)C
| PubChem CID | 7775 |
|---|---|
| CAS | 105-79-3 |
| Molecular Weight (g/mol) | 172.268 |
| ChEBI | CHEBI:87421 |
| MDL Number | MFCD00048870 |
| SMILES | CCCCCC(=O)OCC(C)C |
| Synonym | isobutyl hexanoate,isobutyl caproate,hexanoic acid, 2-methylpropyl ester,hexanoic acid, isobutyl ester,2-methyl-1-propyl caproate,n-caproic acid isobutyl ester,isobutyl caproate natural,unii-2a3x4w9gz0,fema no. 2202,iso-butyl n-hexanoate |
| IUPAC Name | 2-methylpropyl hexanoate |
| InChI Key | UXUPPWPIGVTVQI-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
4-Bromo-N-methylphthalimide 98.0+%, TCI America™
CAS: 90224-73-0 Molecular Formula: C9H6BrNO2 Molecular Weight (g/mol): 240.056 InChI Key: BEIQHTQYTDPHLX-UHFFFAOYSA-N PubChem CID: 790105 IUPAC Name: 5-bromo-2-methylisoindole-1,3-dione SMILES: CN1C(=O)C2=C(C1=O)C=C(C=C2)Br
| PubChem CID | 790105 |
|---|---|
| CAS | 90224-73-0 |
| Molecular Weight (g/mol) | 240.056 |
| SMILES | CN1C(=O)C2=C(C1=O)C=C(C=C2)Br |
| IUPAC Name | 5-bromo-2-methylisoindole-1,3-dione |
| InChI Key | BEIQHTQYTDPHLX-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO2 |
Methyl 1-Adamantanecarboxylate 98.0+%, TCI America™
CAS: 711-01-3 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.274 MDL Number: MFCD01838519 InChI Key: CLYOOVNORYNXMD-UHFFFAOYSA-N Synonym: 1-Adamantanecarboxylic Acid Methyl Ester PubChem CID: 136553 IUPAC Name: methyl adamantane-1-carboxylate SMILES: COC(=O)C12CC3CC(C1)CC(C3)C2
| PubChem CID | 136553 |
|---|---|
| CAS | 711-01-3 |
| Molecular Weight (g/mol) | 194.274 |
| MDL Number | MFCD01838519 |
| SMILES | COC(=O)C12CC3CC(C1)CC(C3)C2 |
| Synonym | 1-Adamantanecarboxylic Acid Methyl Ester |
| IUPAC Name | methyl adamantane-1-carboxylate |
| InChI Key | CLYOOVNORYNXMD-UHFFFAOYSA-N |
| Molecular Formula | C12H18O2 |
2,3-Difluoro-4-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 170981-41-6 Molecular Formula: C7H7BF2O3 MDL Number: MFCD07368234 InChI Key: HIWYFMBSFSTYGU-UHFFFAOYSA-N PubChem CID: 25067272 IUPAC Name: (2,3-difluoro-4-methoxyphenyl)boronic acid
| PubChem CID | 25067272 |
|---|---|
| CAS | 170981-41-6 |
| MDL Number | MFCD07368234 |
| IUPAC Name | (2,3-difluoro-4-methoxyphenyl)boronic acid |
| InChI Key | HIWYFMBSFSTYGU-UHFFFAOYSA-N |
| Molecular Formula | C7H7BF2O3 |
Ethyl Chloroglyoxylate 98.0+%, TCI America™
CAS: 4755-77-5 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.531 MDL Number: MFCD00000706 InChI Key: OWZFULPEVHKEKS-UHFFFAOYSA-N Synonym: ethyl chlorooxoacetate,ethyl oxalyl chloride,ethyl chloroglyoxylate,ethoxalyl chloride,ethyl oxalyl monochloride,acetic acid, chlorooxo-, ethyl ester,oxalic acid monoethyl ester chloride,monoethyl oxaloyl chloride,oxalyl chloride, ethyl ester,ethyl chlorocarbonyl formate PubChem CID: 20884 IUPAC Name: ethyl 2-chloro-2-oxoacetate SMILES: CCOC(=O)C(=O)Cl
| PubChem CID | 20884 |
|---|---|
| CAS | 4755-77-5 |
| Molecular Weight (g/mol) | 136.531 |
| MDL Number | MFCD00000706 |
| SMILES | CCOC(=O)C(=O)Cl |
| Synonym | ethyl chlorooxoacetate,ethyl oxalyl chloride,ethyl chloroglyoxylate,ethoxalyl chloride,ethyl oxalyl monochloride,acetic acid, chlorooxo-, ethyl ester,oxalic acid monoethyl ester chloride,monoethyl oxaloyl chloride,oxalyl chloride, ethyl ester,ethyl chlorocarbonyl formate |
| IUPAC Name | ethyl 2-chloro-2-oxoacetate |
| InChI Key | OWZFULPEVHKEKS-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClO3 |
8-Ethoxyquinoline-5-sulfonic Acid Hydrate 98.0+%, TCI America™
CAS: 15301-40-3 Molecular Formula: C11H11NO4S Molecular Weight (g/mol): 253.27 MDL Number: MFCD00065059 InChI Key: YAMVZYRZAMBCED-UHFFFAOYSA-N Synonym: actinoquinol,8-ethoxy-5-quinolinesulfonic acid,5-quinolinesulfonic acid, 8-ethoxy,unii-470vqe23o3,8-ethoxy-5-chinolinsulfonsaeure,actinochinolum,actinoquinolum,actinoquinol inn,actinoquinolum inn-latin,sodium tequinol PubChem CID: 23674 IUPAC Name: 8-ethoxyquinoline-5-sulfonic acid SMILES: CCOC1=C2N=CC=CC2=C(C=C1)S(O)(=O)=O
| PubChem CID | 23674 |
|---|---|
| CAS | 15301-40-3 |
| Molecular Weight (g/mol) | 253.27 |
| MDL Number | MFCD00065059 |
| SMILES | CCOC1=C2N=CC=CC2=C(C=C1)S(O)(=O)=O |
| Synonym | actinoquinol,8-ethoxy-5-quinolinesulfonic acid,5-quinolinesulfonic acid, 8-ethoxy,unii-470vqe23o3,8-ethoxy-5-chinolinsulfonsaeure,actinochinolum,actinoquinolum,actinoquinol inn,actinoquinolum inn-latin,sodium tequinol |
| IUPAC Name | 8-ethoxyquinoline-5-sulfonic acid |
| InChI Key | YAMVZYRZAMBCED-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO4S |
2-Cyanophenylboronic Acid 1,3-Propanediol Ester 97.0+%, TCI America™
CAS: 172732-52-4 Molecular Formula: C10H10BNO2 Molecular Weight (g/mol): 187.005 MDL Number: MFCD04039012 InChI Key: REQZFVYFYAZUMG-UHFFFAOYSA-N Synonym: 2-1,3,2-dioxaborinan-2-yl benzonitrile,2-cyanophenylboronic acid 1,3-propanediol ester,2-2-cyanophenyl-1,3,2-dioxaborinane,2-cyanobenzeneboronic acid 1,3-propanediol ester,2-cyanophenylboronic acid propanediol ester,2-cyanophenylboronic acid, 1,3-propanediol cyclic ester,2-1,3,2-dioxaborinane-2-yl benzonitrile,2-1,3,2-dioxaborinan-2-yl-benzonitrile,benzonitrile, 2-1,3,2-dioxaborinan-2-yl,2-cyanophenylboronic acid,1,3-propanediol PubChem CID: 3529602 IUPAC Name: 2-(1,3,2-dioxaborinan-2-yl)benzonitrile SMILES: B1(OCCCO1)C2=CC=CC=C2C#N
| PubChem CID | 3529602 |
|---|---|
| CAS | 172732-52-4 |
| Molecular Weight (g/mol) | 187.005 |
| MDL Number | MFCD04039012 |
| SMILES | B1(OCCCO1)C2=CC=CC=C2C#N |
| Synonym | 2-1,3,2-dioxaborinan-2-yl benzonitrile,2-cyanophenylboronic acid 1,3-propanediol ester,2-2-cyanophenyl-1,3,2-dioxaborinane,2-cyanobenzeneboronic acid 1,3-propanediol ester,2-cyanophenylboronic acid propanediol ester,2-cyanophenylboronic acid, 1,3-propanediol cyclic ester,2-1,3,2-dioxaborinane-2-yl benzonitrile,2-1,3,2-dioxaborinan-2-yl-benzonitrile,benzonitrile, 2-1,3,2-dioxaborinan-2-yl,2-cyanophenylboronic acid,1,3-propanediol |
| IUPAC Name | 2-(1,3,2-dioxaborinan-2-yl)benzonitrile |
| InChI Key | REQZFVYFYAZUMG-UHFFFAOYSA-N |
| Molecular Formula | C10H10BNO2 |
1-(Mercaptomethyl)cyclopropaneacetic Acid 97.0+%, TCI America™
CAS: 162515-68-6 Molecular Formula: C6H10O2S Molecular Weight (g/mol): 146.204 MDL Number: MFCD03411600 InChI Key: VFAXPOVKNPTBTM-UHFFFAOYSA-N Synonym: 2-1-mercaptomethyl cyclopropyl acetic acid,1-mercaptomethyl cyclopropaneacetic acid,1-mercaptomethyl cyclopropylacetic acid,1-mercaptomethyl-cyclopropaneacetic acid,unii-1x00t93wyx,cyclopropaneacetic acid, 1-mercaptomethyl,2-1-sulfanylmethyl cyclopropyl acetic acid,1-mercaptomethyl cyclopropyl acetic acid,1-sulfanylmethyl cyclopropyl acetic acid PubChem CID: 9793825 IUPAC Name: 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid SMILES: C1CC1(CC(=O)O)CS
| PubChem CID | 9793825 |
|---|---|
| CAS | 162515-68-6 |
| Molecular Weight (g/mol) | 146.204 |
| MDL Number | MFCD03411600 |
| SMILES | C1CC1(CC(=O)O)CS |
| Synonym | 2-1-mercaptomethyl cyclopropyl acetic acid,1-mercaptomethyl cyclopropaneacetic acid,1-mercaptomethyl cyclopropylacetic acid,1-mercaptomethyl-cyclopropaneacetic acid,unii-1x00t93wyx,cyclopropaneacetic acid, 1-mercaptomethyl,2-1-sulfanylmethyl cyclopropyl acetic acid,1-mercaptomethyl cyclopropyl acetic acid,1-sulfanylmethyl cyclopropyl acetic acid |
| IUPAC Name | 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid |
| InChI Key | VFAXPOVKNPTBTM-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2S |
Calcium Methanesulfonate 98.0+%, TCI America™
CAS: 58131-47-8 Molecular Formula: C2H6CaO6S2 Molecular Weight (g/mol): 230.262 MDL Number: MFCD00070543 InChI Key: BWEYVLQUNDGUEC-UHFFFAOYSA-L Synonym: Methanesulfonic Acid Calcium Salt PubChem CID: 14274928 IUPAC Name: calcium;methanesulfonate SMILES: CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Ca+2]
| PubChem CID | 14274928 |
|---|---|
| CAS | 58131-47-8 |
| Molecular Weight (g/mol) | 230.262 |
| MDL Number | MFCD00070543 |
| SMILES | CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Ca+2] |
| Synonym | Methanesulfonic Acid Calcium Salt |
| IUPAC Name | calcium;methanesulfonate |
| InChI Key | BWEYVLQUNDGUEC-UHFFFAOYSA-L |
| Molecular Formula | C2H6CaO6S2 |