Organic acids and derivatives
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1-[(2-Thienyl)methyl]-1H-pyrazole-4-boronic acid pinacol ester, 97%
CAS: 864754-19-8 Molecular Formula: C14H19BN2O2S Molecular Weight (g/mol): 290.19 MDL Number: MFCD08706027 InChI Key: ANSBFDYOIUZSNT-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1-2-thienylmethyl-1h-pyrazole,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1-thiophen-2-ylmethyl-1h-pyrazole,1-thiophen-2-ylmethyl-1h-pyrazole-4-boronic acid pinacol ester,1-thiophen-2-ylmethyl-1h-pyrazole-4-boronic acid, pinacol ester,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1-thiophen-2-ylmethyl-1h-pyrazole,1-thiophen-2-ylmethyl pyrazole-4-boronic acid pinacol ester,1-thiophen-2-ylmethyl-1h-pyrazol-4-boronic acid pinacol ester,1-thiophen-2-ylmethyl pyrazole-4-boronic acid, pinacol ester,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1-thiophen-2-ylmethyl pyrazole,pubchem18444 PubChem CID: 17749925 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(thiophen-2-ylmethyl)pyrazole SMILES: CC1(C)OB(OC1(C)C)C1=CN(CC2=CC=CS2)N=C1
| PubChem CID | 17749925 |
|---|---|
| CAS | 864754-19-8 |
| Molecular Weight (g/mol) | 290.19 |
| MDL Number | MFCD08706027 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CN(CC2=CC=CS2)N=C1 |
| Synonym | 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1-2-thienylmethyl-1h-pyrazole,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1-thiophen-2-ylmethyl-1h-pyrazole,1-thiophen-2-ylmethyl-1h-pyrazole-4-boronic acid pinacol ester,1-thiophen-2-ylmethyl-1h-pyrazole-4-boronic acid, pinacol ester,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1-thiophen-2-ylmethyl-1h-pyrazole,1-thiophen-2-ylmethyl pyrazole-4-boronic acid pinacol ester,1-thiophen-2-ylmethyl-1h-pyrazol-4-boronic acid pinacol ester,1-thiophen-2-ylmethyl pyrazole-4-boronic acid, pinacol ester,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1-thiophen-2-ylmethyl pyrazole,pubchem18444 |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(thiophen-2-ylmethyl)pyrazole |
| InChI Key | ANSBFDYOIUZSNT-UHFFFAOYSA-N |
| Molecular Formula | C14H19BN2O2S |
Thermo Scientific Chemicals Cefditoren pivoxyl
CAS: 117467-28-4 Molecular Formula: C25H28N6O7S3 Molecular Weight (g/mol): 620.71 MDL Number: MFCD00933166 InChI Key: AFZFFLVORLEPPO-UHFFFAOYNA-N IUPAC Name: {7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy}methyl 2,2-dimethylpropanoate SMILES: CON=C(C(=O)NC1C2SCC(C=CC3=C(C)N=CS3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C1=CSC(N)=N1
| CAS | 117467-28-4 |
|---|---|
| Molecular Weight (g/mol) | 620.71 |
| MDL Number | MFCD00933166 |
| SMILES | CON=C(C(=O)NC1C2SCC(C=CC3=C(C)N=CS3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C1=CSC(N)=N1 |
| IUPAC Name | {7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy}methyl 2,2-dimethylpropanoate |
| InChI Key | AFZFFLVORLEPPO-UHFFFAOYNA-N |
| Molecular Formula | C25H28N6O7S3 |
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 105994-75-0 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD04038957 InChI Key: MXGOKNNGBUOAGF-UHFFFAOYSA-N Synonym: 1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid,1h-pyrazole-4-carboxylicacid, 1-methyl-5-phenyl,acmc-1c8ot,1h-pyrazole-4-carboxylic acid, 1-methyl-5-phenyl,1ff PubChem CID: 2795474 IUPAC Name: 1-methyl-5-phenylpyrazole-4-carboxylic acid SMILES: CN1C(=C(C=N1)C(=O)O)C2=CC=CC=C2
| PubChem CID | 2795474 |
|---|---|
| CAS | 105994-75-0 |
| Molecular Weight (g/mol) | 202.213 |
| MDL Number | MFCD04038957 |
| SMILES | CN1C(=C(C=N1)C(=O)O)C2=CC=CC=C2 |
| Synonym | 1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid,1h-pyrazole-4-carboxylicacid, 1-methyl-5-phenyl,acmc-1c8ot,1h-pyrazole-4-carboxylic acid, 1-methyl-5-phenyl,1ff |
| IUPAC Name | 1-methyl-5-phenylpyrazole-4-carboxylic acid |
| InChI Key | MXGOKNNGBUOAGF-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O2 |
5-Bromopyridine-3-boronic acid, tech. 85%, Thermo Scientific Chemicals
CAS: 452972-09-7 Molecular Formula: C5H5BBrNO2 Molecular Weight (g/mol): 201.81 MDL Number: MFCD02685634 InChI Key: ICCGFOKNFZWCTJ-UHFFFAOYSA-N Synonym: 5-bromopyridine-3-boronic acid,5-bromopyridin-3-yl boronic acid,3-bromopyridine-5-boronic acid,3-bromo-5-pyridineboronic acid,3-bromopyridyl-5-boronic acid,5-bromo-3-pyridyl boronic acid,3-bromo-5-pyridylboronic acid,boronic acid, 5-bromo-3-pyridinyl,5-bromopyridine-3-boronicacid,pubchem5305 PubChem CID: 3814811 IUPAC Name: (5-bromopyridin-3-yl)boronic acid SMILES: OB(O)C1=CN=CC(Br)=C1
| PubChem CID | 3814811 |
|---|---|
| CAS | 452972-09-7 |
| Molecular Weight (g/mol) | 201.81 |
| MDL Number | MFCD02685634 |
| SMILES | OB(O)C1=CN=CC(Br)=C1 |
| Synonym | 5-bromopyridine-3-boronic acid,5-bromopyridin-3-yl boronic acid,3-bromopyridine-5-boronic acid,3-bromo-5-pyridineboronic acid,3-bromopyridyl-5-boronic acid,5-bromo-3-pyridyl boronic acid,3-bromo-5-pyridylboronic acid,boronic acid, 5-bromo-3-pyridinyl,5-bromopyridine-3-boronicacid,pubchem5305 |
| IUPAC Name | (5-bromopyridin-3-yl)boronic acid |
| InChI Key | ICCGFOKNFZWCTJ-UHFFFAOYSA-N |
| Molecular Formula | C5H5BBrNO2 |
Methyl (S)-(+)-3-hydroxy-2-methylpropionate, 98%
CAS: 80657-57-4 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00064520 InChI Key: ATCCIZURPPEVIZ-UHFFFAOYNA-N Synonym: s-methyl 3-hydroxy-2-methylpropanoate,methyl s-+-3-hydroxy-2-methylpropionate,s-+-3-hydroxy-2-methylpropionic acid methyl ester,methyl 2s-3-hydroxy-2-methylpropanoate,2-methyl-3-hydroxypropanoic acid,propanoic acid, 3-hydroxy-2-methyl-, methyl ester, 2s,s-+-methyl 3-hydroxy-2-methylpropionate,s-3-hydroxy-2-methylpropionic acid methyl ester,+-methyl l-beta-hydroxyisobutyrate,methyl 3-hydroxy-2-methylpropanoate # PubChem CID: 10192563 IUPAC Name: methyl (2S)-3-hydroxy-2-methylpropanoate SMILES: COC(=O)C(C)CO
| PubChem CID | 10192563 |
|---|---|
| CAS | 80657-57-4 |
| Molecular Weight (g/mol) | 118.13 |
| MDL Number | MFCD00064520 |
| SMILES | COC(=O)C(C)CO |
| Synonym | s-methyl 3-hydroxy-2-methylpropanoate,methyl s-+-3-hydroxy-2-methylpropionate,s-+-3-hydroxy-2-methylpropionic acid methyl ester,methyl 2s-3-hydroxy-2-methylpropanoate,2-methyl-3-hydroxypropanoic acid,propanoic acid, 3-hydroxy-2-methyl-, methyl ester, 2s,s-+-methyl 3-hydroxy-2-methylpropionate,s-3-hydroxy-2-methylpropionic acid methyl ester,+-methyl l-beta-hydroxyisobutyrate,methyl 3-hydroxy-2-methylpropanoate # |
| IUPAC Name | methyl (2S)-3-hydroxy-2-methylpropanoate |
| InChI Key | ATCCIZURPPEVIZ-UHFFFAOYNA-N |
| Molecular Formula | C5H10O3 |
DL-Ethyl 2-bromopropionate, 99%
CAS: 535-11-5 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00000144 InChI Key: ARFLASKVLJTEJD-UHFFFAOYNA-N Synonym: ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate PubChem CID: 79040 IUPAC Name: ethyl 2-bromopropanoate SMILES: CCOC(=O)C(C)Br
| PubChem CID | 79040 |
|---|---|
| CAS | 535-11-5 |
| Molecular Weight (g/mol) | 181.03 |
| MDL Number | MFCD00000144 |
| SMILES | CCOC(=O)C(C)Br |
| Synonym | ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate |
| IUPAC Name | ethyl 2-bromopropanoate |
| InChI Key | ARFLASKVLJTEJD-UHFFFAOYNA-N |
| Molecular Formula | C5H9BrO2 |
Dimethyl oxalate, 99%
CAS: 553-90-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00008442 InChI Key: LOMVENUNSWAXEN-UHFFFAOYSA-N Synonym: methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid PubChem CID: 11120 ChEBI: CHEBI:6859 IUPAC Name: dimethyl oxalate SMILES: COC(=O)C(=O)OC
| PubChem CID | 11120 |
|---|---|
| CAS | 553-90-2 |
| Molecular Weight (g/mol) | 118.09 |
| ChEBI | CHEBI:6859 |
| MDL Number | MFCD00008442 |
| SMILES | COC(=O)C(=O)OC |
| Synonym | methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid |
| IUPAC Name | dimethyl oxalate |
| InChI Key | LOMVENUNSWAXEN-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4 |
| CAS | 4606-07-9 |
|---|---|
| MDL Number | MFCD00001282 |
Urea, Ultrapure Bioreagent, J.T. Baker™
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 |
Phenylphosphonic acid, 98%, Thermo Scientific Chemicals
CAS: 1571-33-1 Molecular Formula: C6H7O3P Molecular Weight (g/mol): 158.09 MDL Number: MFCD00002136 InChI Key: QLZHNIAADXEJJP-UHFFFAOYSA-N Synonym: benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r PubChem CID: 15295 IUPAC Name: phenylphosphonic acid SMILES: OP(O)(=O)C1=CC=CC=C1
| PubChem CID | 15295 |
|---|---|
| CAS | 1571-33-1 |
| Molecular Weight (g/mol) | 158.09 |
| MDL Number | MFCD00002136 |
| SMILES | OP(O)(=O)C1=CC=CC=C1 |
| Synonym | benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r |
| IUPAC Name | phenylphosphonic acid |
| InChI Key | QLZHNIAADXEJJP-UHFFFAOYSA-N |
| Molecular Formula | C6H7O3P |
1,2,4,5-Benzenetetracarboxylic acid, 96%
CAS: 89-05-4 Molecular Formula: C10H6O8 Molecular Weight (g/mol): 254.15 MDL Number: MFCD00002471 InChI Key: CYIDZMCFTVVTJO-UHFFFAOYSA-N Synonym: pyromellitic acid,1,2,4,5-benzenetetracarboxylic acid,usaf xr-20,1,2,4,5-tetracarboxybenzene,unii-d9uxg2u6zu,1,2,4,5-benzene-tetracarboxylic acid,d9uxg2u6zu,pubchem21809,acmc-20ap78,1,4,5-tetracarboxybenzene PubChem CID: 6961 ChEBI: CHEBI:45165 IUPAC Name: benzene-1,2,4,5-tetracarboxylic acid SMILES: C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 6961 |
|---|---|
| CAS | 89-05-4 |
| Molecular Weight (g/mol) | 254.15 |
| ChEBI | CHEBI:45165 |
| MDL Number | MFCD00002471 |
| SMILES | C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| Synonym | pyromellitic acid,1,2,4,5-benzenetetracarboxylic acid,usaf xr-20,1,2,4,5-tetracarboxybenzene,unii-d9uxg2u6zu,1,2,4,5-benzene-tetracarboxylic acid,d9uxg2u6zu,pubchem21809,acmc-20ap78,1,4,5-tetracarboxybenzene |
| IUPAC Name | benzene-1,2,4,5-tetracarboxylic acid |
| InChI Key | CYIDZMCFTVVTJO-UHFFFAOYSA-N |
| Molecular Formula | C10H6O8 |
Propargyl p-toluenesulfonate, 97%
CAS: 6165-76-0 Molecular Formula: C10H10O3S Molecular Weight (g/mol): 210.25 MDL Number: MFCD01462194 InChI Key: LMBVCSFXFFROTA-UHFFFAOYSA-N Synonym: propargyl p-toluenesulfonate,propargyl tosylate,prop-2-yn-1-yl 4-methylbenzenesulfonate,p-toluenesulfonic acid, 2-propynyl ester,2-propyn-1-ol, 4-methylbenzenesulfonate,ccris 9146,p-toluenesulfonic acid propargyl ester,propargylp-toluenesulfonate,propargyl p-toluene sulfonate,acmc-209mv7 PubChem CID: 22547 IUPAC Name: prop-2-ynyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC#C
| PubChem CID | 22547 |
|---|---|
| CAS | 6165-76-0 |
| Molecular Weight (g/mol) | 210.25 |
| MDL Number | MFCD01462194 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC#C |
| Synonym | propargyl p-toluenesulfonate,propargyl tosylate,prop-2-yn-1-yl 4-methylbenzenesulfonate,p-toluenesulfonic acid, 2-propynyl ester,2-propyn-1-ol, 4-methylbenzenesulfonate,ccris 9146,p-toluenesulfonic acid propargyl ester,propargylp-toluenesulfonate,propargyl p-toluene sulfonate,acmc-209mv7 |
| IUPAC Name | prop-2-ynyl 4-methylbenzenesulfonate |
| InChI Key | LMBVCSFXFFROTA-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3S |
| CAS | 5818-06-4 |
|---|---|
| ChEBI | CHEBI:39411 |
| MDL Number | MFCD00014759 |
| CAS | 108-73-6 |
|---|---|
| Molecular Weight (g/mol) | 126.11 g/mol |
5-Fluorooxindole, 97%
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 |