Organic acids and derivatives
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Dimethyl D-(+)-Malate 98.0+%, TCI America™
CAS: 70681-41-3 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00066216 InChI Key: YSEKNCXYRGKTBJ-UHFFFAOYNA-N Synonym: D-(+)-Apple Acid Dimethyl Ester, D-(+)-Malic Acid Dimethyl Ester PubChem CID: 11062697 IUPAC Name: 1,4-dimethyl 2-hydroxybutanedioate SMILES: COC(=O)CC(O)C(=O)OC
| PubChem CID | 11062697 |
|---|---|
| CAS | 70681-41-3 |
| Molecular Weight (g/mol) | 162.14 |
| MDL Number | MFCD00066216 |
| SMILES | COC(=O)CC(O)C(=O)OC |
| Synonym | D-(+)-Apple Acid Dimethyl Ester, D-(+)-Malic Acid Dimethyl Ester |
| IUPAC Name | 1,4-dimethyl 2-hydroxybutanedioate |
| InChI Key | YSEKNCXYRGKTBJ-UHFFFAOYNA-N |
| Molecular Formula | C6H10O5 |
Dimethyl L-(-)-Malate 98.0+%, TCI America™
CAS: 617-55-0 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00066215 InChI Key: YSEKNCXYRGKTBJ-UHFFFAOYNA-N Synonym: s-dimethyl 2-hydroxysuccinate,dimethyl s---malate,dimethyl l-malate,l---malic acid dimethyl ester,1,4-dimethyl 2s-2-hydroxybutanedioate,butanedioic acid, hydroxy-, dimethyl ester, 2s,dimethyl l---malate,pubchem6778,di-methyl s-malate,dimethyl s--malate PubChem CID: 10285815 IUPAC Name: 1,4-dimethyl 2-hydroxybutanedioate SMILES: COC(=O)CC(O)C(=O)OC
| PubChem CID | 10285815 |
|---|---|
| CAS | 617-55-0 |
| Molecular Weight (g/mol) | 162.14 |
| MDL Number | MFCD00066215 |
| SMILES | COC(=O)CC(O)C(=O)OC |
| Synonym | s-dimethyl 2-hydroxysuccinate,dimethyl s---malate,dimethyl l-malate,l---malic acid dimethyl ester,1,4-dimethyl 2s-2-hydroxybutanedioate,butanedioic acid, hydroxy-, dimethyl ester, 2s,dimethyl l---malate,pubchem6778,di-methyl s-malate,dimethyl s--malate |
| IUPAC Name | 1,4-dimethyl 2-hydroxybutanedioate |
| InChI Key | YSEKNCXYRGKTBJ-UHFFFAOYNA-N |
| Molecular Formula | C6H10O5 |
2,2,2-Trifluoroethyl Trifluoromethanesulfonate 97.0+%, TCI America™
CAS: 6226-25-1 Molecular Formula: C3H2F6O3S Molecular Weight (g/mol): 232.096 MDL Number: MFCD00671579 InChI Key: RTMMSCJWQYWMNK-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyltrifluoromethanesulfonate,2,2,2-trifluoroethyl triflate,methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoromethanesulfonic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl trifluoromethanesulphonate,2,2,2-trifluoroethyl trifluorometanesulfonic acid,2,2,2-trifluoroethyltrifluoromethanesulphonate,2,2,2-trifluoroethyl trifluoromethane sulfonate,trifluoroethyltriflate,trifluoroethyl triflate PubChem CID: 80366 IUPAC Name: 2,2,2-trifluoroethyl trifluoromethanesulfonate SMILES: C(C(F)(F)F)OS(=O)(=O)C(F)(F)F
| PubChem CID | 80366 |
|---|---|
| CAS | 6226-25-1 |
| Molecular Weight (g/mol) | 232.096 |
| MDL Number | MFCD00671579 |
| SMILES | C(C(F)(F)F)OS(=O)(=O)C(F)(F)F |
| Synonym | 2,2,2-trifluoroethyltrifluoromethanesulfonate,2,2,2-trifluoroethyl triflate,methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoromethanesulfonic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl trifluoromethanesulphonate,2,2,2-trifluoroethyl trifluorometanesulfonic acid,2,2,2-trifluoroethyltrifluoromethanesulphonate,2,2,2-trifluoroethyl trifluoromethane sulfonate,trifluoroethyltriflate,trifluoroethyl triflate |
| IUPAC Name | 2,2,2-trifluoroethyl trifluoromethanesulfonate |
| InChI Key | RTMMSCJWQYWMNK-UHFFFAOYSA-N |
| Molecular Formula | C3H2F6O3S |
TATU 98.0+%, TCI America™
CAS: 873798-09-5 Molecular Formula: C10H15BF4N6O Molecular Weight (g/mol): 322.075 InChI Key: AUPDFAPCZZXFMX-UHFFFAOYSA-N Synonym: 1-[Bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-Oxide Tetrafluoroborate PubChem CID: 11099301 IUPAC Name: [dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;tetrafluoroborate SMILES: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1
| PubChem CID | 11099301 |
|---|---|
| CAS | 873798-09-5 |
| Molecular Weight (g/mol) | 322.075 |
| SMILES | [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1 |
| Synonym | 1-[Bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-Oxide Tetrafluoroborate |
| IUPAC Name | [dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;tetrafluoroborate |
| InChI Key | AUPDFAPCZZXFMX-UHFFFAOYSA-N |
| Molecular Formula | C10H15BF4N6O |
Diethyl Fluoromalonate 95.0+%, TCI America™
CAS: 685-88-1 Molecular Formula: C7H11FO4 Molecular Weight (g/mol): 178.159 MDL Number: MFCD00009139 InChI Key: GOWQBFVDZPZZFA-UHFFFAOYSA-N PubChem CID: 12702 IUPAC Name: diethyl 2-fluoropropanedioate SMILES: CCOC(=O)C(C(=O)OCC)F
| PubChem CID | 12702 |
|---|---|
| CAS | 685-88-1 |
| Molecular Weight (g/mol) | 178.159 |
| MDL Number | MFCD00009139 |
| SMILES | CCOC(=O)C(C(=O)OCC)F |
| IUPAC Name | diethyl 2-fluoropropanedioate |
| InChI Key | GOWQBFVDZPZZFA-UHFFFAOYSA-N |
| Molecular Formula | C7H11FO4 |
Alendronate Sodium Trihydrate 97.0+%, TCI America™
CAS: 121268-17-5 Molecular Formula: C4H18NNaO10P2 Molecular Weight (g/mol): 325.122 MDL Number: MFCD01748233 InChI Key: DCSBSVSZJRSITC-UHFFFAOYSA-M Synonym: alendronate sodium hydrate,alendronate sodium trihydrate,alendronate sodium,alendronate monosodium trihydrate,alendros,adronat,fosamax,sodium alendronate hydrate,elandor,fosalan PubChem CID: 23681107 ChEBI: CHEBI:2566 IUPAC Name: sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate SMILES: C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.O.O.O.[Na+]
| PubChem CID | 23681107 |
|---|---|
| CAS | 121268-17-5 |
| Molecular Weight (g/mol) | 325.122 |
| ChEBI | CHEBI:2566 |
| MDL Number | MFCD01748233 |
| SMILES | C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.O.O.O.[Na+] |
| Synonym | alendronate sodium hydrate,alendronate sodium trihydrate,alendronate sodium,alendronate monosodium trihydrate,alendros,adronat,fosamax,sodium alendronate hydrate,elandor,fosalan |
| IUPAC Name | sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate |
| InChI Key | DCSBSVSZJRSITC-UHFFFAOYSA-M |
| Molecular Formula | C4H18NNaO10P2 |
Potassium Trifluoroacetate 98.0+%, TCI America™
CAS: 2923-16-2 Molecular Formula: C2F3KO2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00013215 InChI Key: CUNPJFGIODEJLQ-UHFFFAOYSA-M Synonym: potassium trifluoroacetate,potassium 2,2,2-trifluoroacetate,trifluoroacetic acid potassium salt,acetic acid, trifluoro-, potassium salt,potassiumtrifluoroacetate,pubchem12605,potassium ion trifluoroacetate,ksc492g5t,trifluoroacetic acid, potassium salt,potassium 2,2,2-tris fluoranyl ethanoate PubChem CID: 23662811 IUPAC Name: potassium trifluoroacetate SMILES: [K+].[O-]C(=O)C(F)(F)F
| PubChem CID | 23662811 |
|---|---|
| CAS | 2923-16-2 |
| Molecular Weight (g/mol) | 152.11 |
| MDL Number | MFCD00013215 |
| SMILES | [K+].[O-]C(=O)C(F)(F)F |
| Synonym | potassium trifluoroacetate,potassium 2,2,2-trifluoroacetate,trifluoroacetic acid potassium salt,acetic acid, trifluoro-, potassium salt,potassiumtrifluoroacetate,pubchem12605,potassium ion trifluoroacetate,ksc492g5t,trifluoroacetic acid, potassium salt,potassium 2,2,2-tris fluoranyl ethanoate |
| IUPAC Name | potassium trifluoroacetate |
| InChI Key | CUNPJFGIODEJLQ-UHFFFAOYSA-M |
| Molecular Formula | C2F3KO2 |
Diisopropyl (Bromomethyl)boronate 95.0+%, TCI America™
CAS: 137297-49-5 Molecular Formula: C7H16BBrO2 Molecular Weight (g/mol): 222.917 MDL Number: MFCD01631222 InChI Key: FNHYYZNZIWONBQ-UHFFFAOYSA-N Synonym: (Bromomethyl)boronic Acid Diisopropyl Ester PubChem CID: 2762526 IUPAC Name: bromomethyl-di(propan-2-yloxy)borane SMILES: B(CBr)(OC(C)C)OC(C)C
| PubChem CID | 2762526 |
|---|---|
| CAS | 137297-49-5 |
| Molecular Weight (g/mol) | 222.917 |
| MDL Number | MFCD01631222 |
| SMILES | B(CBr)(OC(C)C)OC(C)C |
| Synonym | (Bromomethyl)boronic Acid Diisopropyl Ester |
| IUPAC Name | bromomethyl-di(propan-2-yloxy)borane |
| InChI Key | FNHYYZNZIWONBQ-UHFFFAOYSA-N |
| Molecular Formula | C7H16BBrO2 |
Phloroglucinol Dihydrate 98.0+%, TCI America™
CAS: 6099-90-7 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.141 MDL Number: MFCD00149090 InChI Key: MPYXTIHPALVENR-UHFFFAOYSA-N Synonym: phloroglucinol dihydrate,benzene-1,3,5-triol dihydrate,1,3,5-trihydroxybenzene dihydrate,1,3,5-benzenetriol, dihydrate,phloroglucinol, dihydrate,sym-trihydroxybenze,unii-0x7b22brg1,ccris 6521,1,3,5-benzoltrioldihydrat,phloroglucinoldihydrate PubChem CID: 80196 IUPAC Name: benzene-1,3,5-triol;dihydrate SMILES: C1=C(C=C(C=C1O)O)O.O.O
| PubChem CID | 80196 |
|---|---|
| CAS | 6099-90-7 |
| Molecular Weight (g/mol) | 162.141 |
| MDL Number | MFCD00149090 |
| SMILES | C1=C(C=C(C=C1O)O)O.O.O |
| Synonym | phloroglucinol dihydrate,benzene-1,3,5-triol dihydrate,1,3,5-trihydroxybenzene dihydrate,1,3,5-benzenetriol, dihydrate,phloroglucinol, dihydrate,sym-trihydroxybenze,unii-0x7b22brg1,ccris 6521,1,3,5-benzoltrioldihydrat,phloroglucinoldihydrate |
| IUPAC Name | benzene-1,3,5-triol;dihydrate |
| InChI Key | MPYXTIHPALVENR-UHFFFAOYSA-N |
| Molecular Formula | C6H10O5 |
N-Octadecylurea 97.0+%, TCI America™
CAS: 2158-08-9 Molecular Formula: C19H40N2O Molecular Weight (g/mol): 312.54 MDL Number: MFCD00043623 InChI Key: GJNDMSSZEBNLPU-UHFFFAOYSA-N PubChem CID: 75090 IUPAC Name: octadecylurea SMILES: CCCCCCCCCCCCCCCCCCNC(=O)N
| PubChem CID | 75090 |
|---|---|
| CAS | 2158-08-9 |
| Molecular Weight (g/mol) | 312.54 |
| MDL Number | MFCD00043623 |
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)N |
| IUPAC Name | octadecylurea |
| InChI Key | GJNDMSSZEBNLPU-UHFFFAOYSA-N |
| Molecular Formula | C19H40N2O |
N-(4-Oxocyclohexyl)phthalimide 98.0+%, TCI America™
CAS: 104618-32-8 Molecular Formula: C14H13NO3 Molecular Weight (g/mol): 243.262 MDL Number: MFCD00158659 InChI Key: PWUJQPNLEZZILN-UHFFFAOYSA-N Synonym: 4-Phthalimidocyclohexanone PubChem CID: 11998391 IUPAC Name: 2-(4-oxocyclohexyl)isoindole-1,3-dione SMILES: C1CC(=O)CCC1N2C(=O)C3=CC=CC=C3C2=O
| PubChem CID | 11998391 |
|---|---|
| CAS | 104618-32-8 |
| Molecular Weight (g/mol) | 243.262 |
| MDL Number | MFCD00158659 |
| SMILES | C1CC(=O)CCC1N2C(=O)C3=CC=CC=C3C2=O |
| Synonym | 4-Phthalimidocyclohexanone |
| IUPAC Name | 2-(4-oxocyclohexyl)isoindole-1,3-dione |
| InChI Key | PWUJQPNLEZZILN-UHFFFAOYSA-N |
| Molecular Formula | C14H13NO3 |
1,2,4,5-Cyclohexanetetracarboxylic Acid 98.0+%, TCI America™
CAS: 15383-49-0 Molecular Formula: C10H12O8 Molecular Weight (g/mol): 260.198 MDL Number: MFCD00435556 InChI Key: ZPAKUZKMGJJMAA-UHFFFAOYSA-N PubChem CID: 2834946 IUPAC Name: cyclohexane-1,2,4,5-tetracarboxylic acid SMILES: C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 2834946 |
|---|---|
| CAS | 15383-49-0 |
| Molecular Weight (g/mol) | 260.198 |
| MDL Number | MFCD00435556 |
| SMILES | C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | cyclohexane-1,2,4,5-tetracarboxylic acid |
| InChI Key | ZPAKUZKMGJJMAA-UHFFFAOYSA-N |
| Molecular Formula | C10H12O8 |
Hemimellitic Acid 98.0+%, TCI America™
CAS: 569-51-7 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.141 MDL Number: MFCD00002468 InChI Key: UJMDYLWCYJJYMO-UHFFFAOYSA-N Synonym: 1,2,3-Benzenetricarboxylic Acid PubChem CID: 11288 IUPAC Name: benzene-1,2,3-tricarboxylic acid SMILES: C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 11288 |
|---|---|
| CAS | 569-51-7 |
| Molecular Weight (g/mol) | 210.141 |
| MDL Number | MFCD00002468 |
| SMILES | C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O |
| Synonym | 1,2,3-Benzenetricarboxylic Acid |
| IUPAC Name | benzene-1,2,3-tricarboxylic acid |
| InChI Key | UJMDYLWCYJJYMO-UHFFFAOYSA-N |
| Molecular Formula | C9H6O6 |
1,2,3,4,6-Penta-O-acetyl-D-mannopyranose 97.0+%, TCI America™
CAS: 25941-03-1 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.341 MDL Number: MFCD05864874 InChI Key: LPTITAGPBXDDGR-WHWZVRATSA-N Synonym: 1,2,3,4,6-penta-o-acetyl-d-mannopyranose,d-mannopyranose pentaacetate,3s,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,2r,3r,4s,5s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,mannopyranose pentaacetate,d-mannopyranose, pentaacetate,1,2,3,4,6-pentaacetate d-mannopyranose,d-mannopyranose,1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-dmannopyranose,1,2,3,4,6-penta-o-acetyl-alpha,beta-d-mannose PubChem CID: 11811209 IUPAC Name: [(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 11811209 |
|---|---|
| CAS | 25941-03-1 |
| Molecular Weight (g/mol) | 390.341 |
| MDL Number | MFCD05864874 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Synonym | 1,2,3,4,6-penta-o-acetyl-d-mannopyranose,d-mannopyranose pentaacetate,3s,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,2r,3r,4s,5s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,mannopyranose pentaacetate,d-mannopyranose, pentaacetate,1,2,3,4,6-pentaacetate d-mannopyranose,d-mannopyranose,1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-dmannopyranose,1,2,3,4,6-penta-o-acetyl-alpha,beta-d-mannose |
| IUPAC Name | [(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-WHWZVRATSA-N |
| Molecular Formula | C16H22O11 |
Ethyl Thioglycolate 97.0+%, TCI America™
CAS: 623-51-8 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00004874 InChI Key: PVBRSNZAOAJRKO-UHFFFAOYSA-N Synonym: ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester PubChem CID: 12185 IUPAC Name: ethyl 2-sulfanylacetate SMILES: CCOC(=O)CS
| PubChem CID | 12185 |
|---|---|
| CAS | 623-51-8 |
| Molecular Weight (g/mol) | 120.166 |
| MDL Number | MFCD00004874 |
| SMILES | CCOC(=O)CS |
| Synonym | ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester |
| IUPAC Name | ethyl 2-sulfanylacetate |
| InChI Key | PVBRSNZAOAJRKO-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2S |