Organic acids and derivatives
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1-Acetyl-1H-pyrazole-4-boronic acid pinacol ester, 97%, Thermo Scientific Chemicals
CAS: 1150561-76-4 Molecular Formula: C11H17BN2O3 Molecular Weight (g/mol): 236.08 MDL Number: MFCD09027064 InChI Key: GAXOQGDPSCOOLC-UHFFFAOYSA-N Synonym: 1-acetyl-1h-pyrazole-4-boronic acid, pinacol ester,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazol-1-yl-ethanone,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazol-1-yl ethanone,1-acetylpyrazole-4-boronic acid pinacol ester,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazol-1-yl ethanone,1-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazol-1-yl ethanone,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazol-1-yl ethan-1-one,ethanone,1-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-pyrazol-1-yl PubChem CID: 17750204 IUPAC Name: 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanone SMILES: CC(=O)N1C=C(C=N1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 17750204 |
|---|---|
| CAS | 1150561-76-4 |
| Molecular Weight (g/mol) | 236.08 |
| MDL Number | MFCD09027064 |
| SMILES | CC(=O)N1C=C(C=N1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 1-acetyl-1h-pyrazole-4-boronic acid, pinacol ester,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazol-1-yl-ethanone,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazol-1-yl ethanone,1-acetylpyrazole-4-boronic acid pinacol ester,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazol-1-yl ethanone,1-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazol-1-yl ethanone,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazol-1-yl ethan-1-one,ethanone,1-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-pyrazol-1-yl |
| IUPAC Name | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanone |
| InChI Key | GAXOQGDPSCOOLC-UHFFFAOYSA-N |
| Molecular Formula | C11H17BN2O3 |
Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate, 97%
CAS: 155377-19-8 Molecular Formula: C7H7F3N2O2 Molecular Weight (g/mol): 208.14 MDL Number: MFCD00052083 InChI Key: VYXIHSAEOXPAEY-UHFFFAOYSA-N Synonym: ethyl 3-trifluoromethyl pyrazole-4-carboxylate,ethyl 3-trifluoromethyl-1h-pyrazole-4-carboxylate,ethyl 5-trifluoromethyl-1h-pyrazole-4-carboxylate,3-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,3-trifluoromethyl pyrazole-4-carboxylic acid ethyl ester,ethyl 3-trifluoromethyl-2h-pyrazole-4-carboxylate,5-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,1h-pyrazole-4-carboxylic acid, 3-trifluoromethyl-, ethyl ester PubChem CID: 596095 IUPAC Name: ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate SMILES: CCOC(=O)C1=C(NN=C1)C(F)(F)F
| PubChem CID | 596095 |
|---|---|
| CAS | 155377-19-8 |
| Molecular Weight (g/mol) | 208.14 |
| MDL Number | MFCD00052083 |
| SMILES | CCOC(=O)C1=C(NN=C1)C(F)(F)F |
| Synonym | ethyl 3-trifluoromethyl pyrazole-4-carboxylate,ethyl 3-trifluoromethyl-1h-pyrazole-4-carboxylate,ethyl 5-trifluoromethyl-1h-pyrazole-4-carboxylate,3-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,3-trifluoromethyl pyrazole-4-carboxylic acid ethyl ester,ethyl 3-trifluoromethyl-2h-pyrazole-4-carboxylate,5-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,1h-pyrazole-4-carboxylic acid, 3-trifluoromethyl-, ethyl ester |
| IUPAC Name | ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate |
| InChI Key | VYXIHSAEOXPAEY-UHFFFAOYSA-N |
| Molecular Formula | C7H7F3N2O2 |
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid, 97%
CAS: 307307-97-7 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD09056813 InChI Key: VOAKNFVZEGNOKV-UHFFFAOYSA-N Synonym: 4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carboxylic acid,4h,5h,6h,7h-pyrazolo 1,5-a pyridine-3-carboxylic acid,pyrazolo 1,5-a pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro,4,5,6,7-tetrahydro-pyrazolo 1,5-a pyridine-3-carboxylic acid,pubchem23924,4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carbox,4?5?6?7-tetrahydropyrazolo 1?5-a pyridine-3-carboxylic acid,pyrazolo 1,5-a pyridine-3-carboxylicacid, 4,5,6,7-tetrahydro PubChem CID: 21941376 IUPAC Name: 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid SMILES: C1CCN2C(=C(C=N2)C(=O)O)C1
| PubChem CID | 21941376 |
|---|---|
| CAS | 307307-97-7 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD09056813 |
| SMILES | C1CCN2C(=C(C=N2)C(=O)O)C1 |
| Synonym | 4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carboxylic acid,4h,5h,6h,7h-pyrazolo 1,5-a pyridine-3-carboxylic acid,pyrazolo 1,5-a pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro,4,5,6,7-tetrahydro-pyrazolo 1,5-a pyridine-3-carboxylic acid,pubchem23924,4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carbox,4?5?6?7-tetrahydropyrazolo 1?5-a pyridine-3-carboxylic acid,pyrazolo 1,5-a pyridine-3-carboxylicacid, 4,5,6,7-tetrahydro |
| IUPAC Name | 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid |
| InChI Key | VOAKNFVZEGNOKV-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
Chloromethylphosphonic acid, 98%, Thermo Scientific Chemicals
CAS: 2565-58-4 Molecular Formula: CH4ClO3P Molecular Weight (g/mol): 130.46 MDL Number: MFCD00013955 InChI Key: MOFCYHDQWIZKMY-UHFFFAOYSA-N Synonym: chloromethyl phosphonic acid,phosphonic acid, chloromethyl,chloromethanephosphonic acid,phosphonic acid, p-chloromethyl,monochloromethyl phosphonic acid,chloromethylphosphite,phosphonomethyl chloride,chloromethyl-phosphonicaci,phosphonic acid,p-chloromethyl,chloromethyl phosphonic acid, 98 % PubChem CID: 75723 IUPAC Name: chloromethylphosphonic acid SMILES: OP(O)(=O)CCl
| PubChem CID | 75723 |
|---|---|
| CAS | 2565-58-4 |
| Molecular Weight (g/mol) | 130.46 |
| MDL Number | MFCD00013955 |
| SMILES | OP(O)(=O)CCl |
| Synonym | chloromethyl phosphonic acid,phosphonic acid, chloromethyl,chloromethanephosphonic acid,phosphonic acid, p-chloromethyl,monochloromethyl phosphonic acid,chloromethylphosphite,phosphonomethyl chloride,chloromethyl-phosphonicaci,phosphonic acid,p-chloromethyl,chloromethyl phosphonic acid, 98 % |
| IUPAC Name | chloromethylphosphonic acid |
| InChI Key | MOFCYHDQWIZKMY-UHFFFAOYSA-N |
| Molecular Formula | CH4ClO3P |
Urea, Ultrapure, 99.5%, Spectrum™ Chemical
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CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.06 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N IUPAC Name: urea SMILES: NC(N)=O
| CAS | 57-13-6 |
|---|---|
| Molecular Weight (g/mol) | 60.06 |
| SMILES | NC(N)=O |
| IUPAC Name | urea |
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |
Hydroxyurea, USP, 97-103%, Spectrum™ Chemical
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CAS: 127-07-1 Molecular Formula: CH4N2O2 Molecular Weight (g/mol): 76.06 InChI Key: VSNHCAURESNICA-UHFFFAOYSA-N IUPAC Name: hydroxyurea SMILES: NC(=O)NO
| CAS | 127-07-1 |
|---|---|
| Molecular Weight (g/mol) | 76.06 |
| SMILES | NC(=O)NO |
| IUPAC Name | hydroxyurea |
| InChI Key | VSNHCAURESNICA-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O2 |
| CAS | 108-73-6 |
|---|---|
| Molecular Weight (g/mol) | 126.11 g/mol |
Sodium Ascorbate, USP, bioCERTIFIED™, 1 kg, Spectrum Chemical
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Vinylene carbonate, 97+%, stab. with BHT
CAS: 872-36-6 Molecular Formula: C3H2O3 Molecular Weight (g/mol): 86.05 MDL Number: MFCD00005380 InChI Key: VAYTZRYEBVHVLE-UHFFFAOYSA-N Synonym: vinylene carbonate,vinyl carbonate,carbonic acid, cyclic vinylene ester,wln: t5ovoj,vinylenecarbonate,vinyleny carbonate,carbonic acid vinylene,1,3-dioxo-2-one,vinylene carbonate vc,acmc-209qj3 PubChem CID: 13385 IUPAC Name: 1,3-dioxol-2-one SMILES: O=C1OC=CO1
| PubChem CID | 13385 |
|---|---|
| CAS | 872-36-6 |
| Molecular Weight (g/mol) | 86.05 |
| MDL Number | MFCD00005380 |
| SMILES | O=C1OC=CO1 |
| Synonym | vinylene carbonate,vinyl carbonate,carbonic acid, cyclic vinylene ester,wln: t5ovoj,vinylenecarbonate,vinyleny carbonate,carbonic acid vinylene,1,3-dioxo-2-one,vinylene carbonate vc,acmc-209qj3 |
| IUPAC Name | 1,3-dioxol-2-one |
| InChI Key | VAYTZRYEBVHVLE-UHFFFAOYSA-N |
| Molecular Formula | C3H2O3 |
Potassium Sodium Tartrate, Tetrahydrate, Granular, USP, 99-102%, Spectrum™ Chemical
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CAS: 6381-59-5 Molecular Formula: C4H12KNaO10 Molecular Weight (g/mol): 282.22 InChI Key: VZOPRCCTKLAGPN-ZFJVMAEJSA-L IUPAC Name: potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate SMILES: O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
| CAS | 6381-59-5 |
|---|---|
| Molecular Weight (g/mol) | 282.22 |
| SMILES | O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O |
| IUPAC Name | potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate |
| InChI Key | VZOPRCCTKLAGPN-ZFJVMAEJSA-L |
| Molecular Formula | C4H12KNaO10 |
Sodium Ascorbate, Powder, USP, 99-101%, Spectrum™ Chemical
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CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| CAS | 134-03-2 |
|---|---|
| Molecular Weight (g/mol) | 198.11 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
Sodium Tartrate, Dihydrate, Crystal, Reagent, ACS, 99-101%, Spectrum™ Chemical
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CAS: 6106-24-7 Molecular Formula: C4H8Na2O8 Molecular Weight (g/mol): 230.08 MDL Number: MFCD00150035 InChI Key: FGJLAJMGHXGFDE-UDMGOBQRNA-L IUPAC Name: disodium (2R,3R)-2,3-dihydroxybutanedioate dihydrate SMILES: O.O.[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
| CAS | 6106-24-7 |
|---|---|
| Molecular Weight (g/mol) | 230.08 |
| MDL Number | MFCD00150035 |
| SMILES | O.O.[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O |
| IUPAC Name | disodium (2R,3R)-2,3-dihydroxybutanedioate dihydrate |
| InChI Key | FGJLAJMGHXGFDE-UDMGOBQRNA-L |
| Molecular Formula | C4H8Na2O8 |
Calcium Lactate, Pentahydrate, FCC, EP, USP, 98-101%, Spectrum™ Chemical
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CAS: 5743-47-5 Molecular Formula: C6H20CaO11 Molecular Weight (g/mol): 308.29 MDL Number: MFCD00287281 (5H2O) InChI Key: HPVJXNNKHRNBOY-UHFFFAOYNA-L IUPAC Name: calcium bis(2-hydroxypropanoate) pentahydrate SMILES: O.O.O.O.O.[Ca++].CC(O)C([O-])=O.CC(O)C([O-])=O
| CAS | 5743-47-5 |
|---|---|
| Molecular Weight (g/mol) | 308.29 |
| MDL Number | MFCD00287281 (5H2O) |
| SMILES | O.O.O.O.O.[Ca++].CC(O)C([O-])=O.CC(O)C([O-])=O |
| IUPAC Name | calcium bis(2-hydroxypropanoate) pentahydrate |
| InChI Key | HPVJXNNKHRNBOY-UHFFFAOYNA-L |
| Molecular Formula | C6H20CaO11 |
trans-Aconitic acid, 98%
CAS: 4023-65-8 Molecular Formula: C6H6O6 Molecular Weight (g/mol): 174.108 MDL Number: MFCD00002721 InChI Key: GTZCVFVGUGFEME-HNQUOIGGSA-N Synonym: trans-aconitic acid,trans-aconitate,e-1-propene-1,2,3-tricarboxylic acid,aconitic acid,e-prop-1-ene-1,2,3-tricarboxylic acid,aconitic acid, trans,trans aconitic acid,e-aconitic acid,unii-7db37960cw,1e-1-propene-1,2,3-tricarboxylic acid PubChem CID: 444212 ChEBI: CHEBI:32806 IUPAC Name: (E)-prop-1-ene-1,2,3-tricarboxylic acid SMILES: C(C(=CC(=O)O)C(=O)O)C(=O)O
| PubChem CID | 444212 |
|---|---|
| CAS | 4023-65-8 |
| Molecular Weight (g/mol) | 174.108 |
| ChEBI | CHEBI:32806 |
| MDL Number | MFCD00002721 |
| SMILES | C(C(=CC(=O)O)C(=O)O)C(=O)O |
| Synonym | trans-aconitic acid,trans-aconitate,e-1-propene-1,2,3-tricarboxylic acid,aconitic acid,e-prop-1-ene-1,2,3-tricarboxylic acid,aconitic acid, trans,trans aconitic acid,e-aconitic acid,unii-7db37960cw,1e-1-propene-1,2,3-tricarboxylic acid |
| IUPAC Name | (E)-prop-1-ene-1,2,3-tricarboxylic acid |
| InChI Key | GTZCVFVGUGFEME-HNQUOIGGSA-N |
| Molecular Formula | C6H6O6 |
TES, 99%
CAS: 7365-44-8 Molecular Formula: C6H15NO6S Molecular Weight (g/mol): 229.247 MDL Number: MFCD00007532 InChI Key: JOCBASBOOFNAJA-UHFFFAOYSA-N Synonym: tes,n-tris hydroxymethyl methyl-2-aminoethanesulfonic acid,tes buffer,tes free acid,ethanesulfonic acid, 2-2-hydroxy-1,1-bis hydroxymethyl ethyl amino,2-1,3-dihydroxy-2-hydroxymethyl propan-2-yl amino ethanesulfonic acid,2-2-hydroxy-1,1-dihydroxymethyl-ethylamino-ethanesulfonic acid,tris hydroxymethyl methyl-2-aminomethane sulfonic acid,2-tris hydroxymethyl methylamino ethane-1-sulphonic acid,n-tri hydroxymethyl methyltaurine PubChem CID: 81831 ChEBI: CHEBI:44356 IUPAC Name: 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid SMILES: C(CS(=O)(=O)O)NC(CO)(CO)CO
| PubChem CID | 81831 |
|---|---|
| CAS | 7365-44-8 |
| Molecular Weight (g/mol) | 229.247 |
| ChEBI | CHEBI:44356 |
| MDL Number | MFCD00007532 |
| SMILES | C(CS(=O)(=O)O)NC(CO)(CO)CO |
| Synonym | tes,n-tris hydroxymethyl methyl-2-aminoethanesulfonic acid,tes buffer,tes free acid,ethanesulfonic acid, 2-2-hydroxy-1,1-bis hydroxymethyl ethyl amino,2-1,3-dihydroxy-2-hydroxymethyl propan-2-yl amino ethanesulfonic acid,2-2-hydroxy-1,1-dihydroxymethyl-ethylamino-ethanesulfonic acid,tris hydroxymethyl methyl-2-aminomethane sulfonic acid,2-tris hydroxymethyl methylamino ethane-1-sulphonic acid,n-tri hydroxymethyl methyltaurine |
| IUPAC Name | 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid |
| InChI Key | JOCBASBOOFNAJA-UHFFFAOYSA-N |
| Molecular Formula | C6H15NO6S |