Organic acids and derivatives
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2-Methoxybenzeneboronic acid, 97%
CAS: 5720-06-9 Molecular Formula: C7H9BO3 Molecular Weight (g/mol): 151.96 MDL Number: MFCD00236047 InChI Key: ROEQGIFOWRQYHD-UHFFFAOYSA-N Synonym: 2-methoxybenzeneboronic acid,2-methoxyphenyl boronic acid,o-methoxyphenylboronic acid,2-methoxyphenyl boranediol,2-boronoanisole,2-methoxypenylboronic acid,o-methoxyphenyl boronic acid,2-methoxy phenylboronic acid,2-methoxybenzene boronic acid PubChem CID: 2733958 IUPAC Name: (2-methoxyphenyl)boronic acid SMILES: COC1=CC=CC=C1B(O)O
| PubChem CID | 2733958 |
|---|---|
| CAS | 5720-06-9 |
| Molecular Weight (g/mol) | 151.96 |
| MDL Number | MFCD00236047 |
| SMILES | COC1=CC=CC=C1B(O)O |
| Synonym | 2-methoxybenzeneboronic acid,2-methoxyphenyl boronic acid,o-methoxyphenylboronic acid,2-methoxyphenyl boranediol,2-boronoanisole,2-methoxypenylboronic acid,o-methoxyphenyl boronic acid,2-methoxy phenylboronic acid,2-methoxybenzene boronic acid |
| IUPAC Name | (2-methoxyphenyl)boronic acid |
| InChI Key | ROEQGIFOWRQYHD-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
1-Dodecanesulfonic acid, sodium salt, 99+%
CAS: 2386-53-0 Molecular Formula: C12H25NaO3S Molecular Weight (g/mol): 272.38 MDL Number: MFCD00007527 InChI Key: DAJSVUQLFFJUSX-UHFFFAOYSA-M Synonym: sodium 1-dodecanesulfonate,sodium dodecane-1-sulfonate,1-dodecanesulfonic acid sodium salt,sodium laurylsulfonate,1-dodecanesulfonic acid, sodium salt,unii-4gy1kjw8si,sodium dodecyl sulfonate,4gy1kjw8si,laurylsulfonic acid sodium salt,1-dodecanesulfonic acid, sodium salt 1:1 PubChem CID: 23665726 IUPAC Name: sodium;dodecane-1-sulfonate SMILES: CCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 23665726 |
|---|---|
| CAS | 2386-53-0 |
| Molecular Weight (g/mol) | 272.38 |
| MDL Number | MFCD00007527 |
| SMILES | CCCCCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium 1-dodecanesulfonate,sodium dodecane-1-sulfonate,1-dodecanesulfonic acid sodium salt,sodium laurylsulfonate,1-dodecanesulfonic acid, sodium salt,unii-4gy1kjw8si,sodium dodecyl sulfonate,4gy1kjw8si,laurylsulfonic acid sodium salt,1-dodecanesulfonic acid, sodium salt 1:1 |
| IUPAC Name | sodium;dodecane-1-sulfonate |
| InChI Key | DAJSVUQLFFJUSX-UHFFFAOYSA-M |
| Molecular Formula | C12H25NaO3S |
Pyridine-4-boronic acid, 97%, Thermo Scientific™
CAS: 1692-15-5 Molecular Formula: C5H6BNO2 Molecular Weight (g/mol): 122.92 MDL Number: MFCD01074545 InChI Key: QLULGIRFKAWHOJ-UHFFFAOYSA-N Synonym: pyridine-4-boronic acid,4-pyridineboronic acid,4-pyridylboronic acid,pyridin-4-yl boronic acid,4-pyridinylboronic acid,pyridin-4-yl-4-boronic acid,4-pyridinebornic acid,pyridyl-4-boronic acid,4-pyridinyl boronic acid,pyridine-4-ylboronic acid PubChem CID: 2734379 SMILES: OB(O)C1=CC=NC=C1
| PubChem CID | 2734379 |
|---|---|
| CAS | 1692-15-5 |
| Molecular Weight (g/mol) | 122.92 |
| MDL Number | MFCD01074545 |
| SMILES | OB(O)C1=CC=NC=C1 |
| Synonym | pyridine-4-boronic acid,4-pyridineboronic acid,4-pyridylboronic acid,pyridin-4-yl boronic acid,4-pyridinylboronic acid,pyridin-4-yl-4-boronic acid,4-pyridinebornic acid,pyridyl-4-boronic acid,4-pyridinyl boronic acid,pyridine-4-ylboronic acid |
| InChI Key | QLULGIRFKAWHOJ-UHFFFAOYSA-N |
| Molecular Formula | C5H6BNO2 |
n-Propyl Acetate, 99%, Spectrum™ Chemical
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CAS: 109-60-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 InChI Key: YKYONYBAUNKHLG-UHFFFAOYSA-N IUPAC Name: propyl acetate SMILES: CCCOC(C)=O
| CAS | 109-60-4 |
|---|---|
| Molecular Weight (g/mol) | 102.13 |
| SMILES | CCCOC(C)=O |
| IUPAC Name | propyl acetate |
| InChI Key | YKYONYBAUNKHLG-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
4-(Acetamidomethyl)benzeneboronic acid, 97%
CAS: 850568-41-1 Molecular Formula: C9H12BNO3 Molecular Weight (g/mol): 193.009 MDL Number: MFCD06659818 InChI Key: ZMJVNKSOLIUBKO-UHFFFAOYSA-N Synonym: 4-acetamidomethyl phenyl boronic acid,4-acetamidomethylphenylboronic acid,4-acetamidomethylphenyl boronic acid,4-acetamidomethyl benzeneboronic acid,4-acetylaminomethyl benzeneboronic acid,4-acetamidomethyl phenylboronic acid,boronic acid,b-4-acetylamino methyl phenyl,4-acetamidomethylbenzeneboronic acid,pubchem14580 PubChem CID: 22309454 IUPAC Name: [4-(acetamidomethyl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)CNC(=O)C)(O)O
| PubChem CID | 22309454 |
|---|---|
| CAS | 850568-41-1 |
| Molecular Weight (g/mol) | 193.009 |
| MDL Number | MFCD06659818 |
| SMILES | B(C1=CC=C(C=C1)CNC(=O)C)(O)O |
| Synonym | 4-acetamidomethyl phenyl boronic acid,4-acetamidomethylphenylboronic acid,4-acetamidomethylphenyl boronic acid,4-acetamidomethyl benzeneboronic acid,4-acetylaminomethyl benzeneboronic acid,4-acetamidomethyl phenylboronic acid,boronic acid,b-4-acetylamino methyl phenyl,4-acetamidomethylbenzeneboronic acid,pubchem14580 |
| IUPAC Name | [4-(acetamidomethyl)phenyl]boronic acid |
| InChI Key | ZMJVNKSOLIUBKO-UHFFFAOYSA-N |
| Molecular Formula | C9H12BNO3 |
Triethyl 1,1,2-ethanetricarboxylate, 99%
CAS: 7459-46-3 MDL Number: MFCD00009154 InChI Key: TVWZLLYAJDSSCJ-UHFFFAOYSA-N Synonym: triethyl 1,1,2-ethanetricarboxylate,1,1,2-ethanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-succinic acid diethyl ester,triethyl ethane tricarboxylate,1,1,2-triethyl ethane-1,1,2-tricarboxylate,triethyl ethane-1,2,2-tricarboxylate,ethane-1,1,2-tricarboxylic acid triethyl ester,ethane-1,1,2-tricarboxylic acid, triethyl ester,diethyl 2-ethoxycarbonyl butane-1,4-dioate,acmc-209ovd PubChem CID: 81961 IUPAC Name: triethyl ethane-1,1,2-tricarboxylate SMILES: CCOC(=O)CC(C(=O)OCC)C(=O)OCC
| PubChem CID | 81961 |
|---|---|
| CAS | 7459-46-3 |
| MDL Number | MFCD00009154 |
| SMILES | CCOC(=O)CC(C(=O)OCC)C(=O)OCC |
| Synonym | triethyl 1,1,2-ethanetricarboxylate,1,1,2-ethanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-succinic acid diethyl ester,triethyl ethane tricarboxylate,1,1,2-triethyl ethane-1,1,2-tricarboxylate,triethyl ethane-1,2,2-tricarboxylate,ethane-1,1,2-tricarboxylic acid triethyl ester,ethane-1,1,2-tricarboxylic acid, triethyl ester,diethyl 2-ethoxycarbonyl butane-1,4-dioate,acmc-209ovd |
| IUPAC Name | triethyl ethane-1,1,2-tricarboxylate |
| InChI Key | TVWZLLYAJDSSCJ-UHFFFAOYSA-N |
Urea, 99%, (White crystalline powder or pellets/Ultra Pure), 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 |
Hydroxypropyl methacrylate, 97+%, mixture of isomers, stabilized
CAS: 27813-02-1 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00004536 InChI Key: ZMARGGQEAJXRFP-UHFFFAOYNA-N Synonym: 2-hydroxypropyl methacrylate,2-hydroxypropylmethacrylate,hpma,beta-hydroxypropyl methacrylate,acryester hp,2-hydroxypropyl 2-methylacrylate,poly 2-hydroxypropyl methacrylate,2-hydroxypropyl 2-methyl-2-propenoate,2-propenoic acid, 2-methyl-, 2-hydroxypropyl ester,2-hpma PubChem CID: 13539 ChEBI: CHEBI:53440 IUPAC Name: 2-hydroxypropyl 2-methylprop-2-enoate SMILES: CC(CO)OC(=O)C(C)=C
| PubChem CID | 13539 |
|---|---|
| CAS | 27813-02-1 |
| Molecular Weight (g/mol) | 144.17 |
| ChEBI | CHEBI:53440 |
| MDL Number | MFCD00004536 |
| SMILES | CC(CO)OC(=O)C(C)=C |
| Synonym | 2-hydroxypropyl methacrylate,2-hydroxypropylmethacrylate,hpma,beta-hydroxypropyl methacrylate,acryester hp,2-hydroxypropyl 2-methylacrylate,poly 2-hydroxypropyl methacrylate,2-hydroxypropyl 2-methyl-2-propenoate,2-propenoic acid, 2-methyl-, 2-hydroxypropyl ester,2-hpma |
| IUPAC Name | 2-hydroxypropyl 2-methylprop-2-enoate |
| InChI Key | ZMARGGQEAJXRFP-UHFFFAOYNA-N |
| Molecular Formula | C7H12O3 |
cis-Aconitic acid, tech. 85%
CAS: 585-84-2 Molecular Formula: C6H6O6 Molecular Weight (g/mol): 174.11 MDL Number: MFCD00063184 InChI Key: GTZCVFVGUGFEME-HNQUOIGGSA-N Synonym: cis-aconitic acid,cis-aconitate,achilleic acid,citridinic acid,equisetic acid,pyrocitric acid,achilleaic acid,citridic acid,cis-aconic acid,aconitic acid PubChem CID: 643757 ChEBI: CHEBI:32805 SMILES: OC(=O)C\C(=C/C(O)=O)C(O)=O
| PubChem CID | 643757 |
|---|---|
| CAS | 585-84-2 |
| Molecular Weight (g/mol) | 174.11 |
| ChEBI | CHEBI:32805 |
| MDL Number | MFCD00063184 |
| SMILES | OC(=O)C\C(=C/C(O)=O)C(O)=O |
| Synonym | cis-aconitic acid,cis-aconitate,achilleic acid,citridinic acid,equisetic acid,pyrocitric acid,achilleaic acid,citridic acid,cis-aconic acid,aconitic acid |
| InChI Key | GTZCVFVGUGFEME-HNQUOIGGSA-N |
| Molecular Formula | C6H6O6 |
N,N-Dimethylacetamide, anhydrous, 99.8%, packaged under Argon in resealable ChemSeal™ bottles
CAS: 127-19-5 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD00008686 InChI Key: FXHOOIRPVKKKFG-UHFFFAOYSA-N Synonym: dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine PubChem CID: 31374 ChEBI: CHEBI:84254 IUPAC Name: N,N-dimethylacetamide SMILES: CN(C)C(C)=O
| PubChem CID | 31374 |
|---|---|
| CAS | 127-19-5 |
| Molecular Weight (g/mol) | 87.12 |
| ChEBI | CHEBI:84254 |
| MDL Number | MFCD00008686 |
| SMILES | CN(C)C(C)=O |
| Synonym | dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine |
| IUPAC Name | N,N-dimethylacetamide |
| InChI Key | FXHOOIRPVKKKFG-UHFFFAOYSA-N |
| Molecular Formula | C4H9NO |
Ethyl stearate, 97%
CAS: 111-61-5 Molecular Formula: C20H40O2 Molecular Weight (g/mol): 312.52 MDL Number: MFCD00009006 InChI Key: MVLVMROFTAUDAG-UHFFFAOYSA-N Synonym: ethyl stearate,stearic acid ethyl ester,octadecanoic acid, ethyl ester,ethyl n-octadecanoate,stearic acid, ethyl ester,dicyclohexylammonium sulfate,unii-c64rtc734w,fema no. 3490,ethyl-stearate,ethyloctadecanoate PubChem CID: 8122 ChEBI: CHEBI:84936 IUPAC Name: ethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC
| PubChem CID | 8122 |
|---|---|
| CAS | 111-61-5 |
| Molecular Weight (g/mol) | 312.52 |
| ChEBI | CHEBI:84936 |
| MDL Number | MFCD00009006 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC |
| Synonym | ethyl stearate,stearic acid ethyl ester,octadecanoic acid, ethyl ester,ethyl n-octadecanoate,stearic acid, ethyl ester,dicyclohexylammonium sulfate,unii-c64rtc734w,fema no. 3490,ethyl-stearate,ethyloctadecanoate |
| IUPAC Name | ethyl octadecanoate |
| InChI Key | MVLVMROFTAUDAG-UHFFFAOYSA-N |
| Molecular Formula | C20H40O2 |
Diethylenetriaminepentaacetic Acid, 98%, Spectrum™ Chemical
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CAS: 67-43-6
| CAS | 67-43-6 |
|---|
| CAS | 2832-10-2 |
|---|---|
| MDL Number | MFCD00009211 |
UK 14,304 tartrate, Tocris Bioscience™
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CAS: 70359-46-5 Molecular Formula: C15H16BrN5O6 Molecular Weight (g/mol): 442.226 InChI Key: QZHBYNSSDLTCRG-YKWZRPGSSA-N Synonym: brimonidine tartrate,--tartaric acid; brimonidine PubChem CID: 72376318 IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2R,3S)-2,3-dihydroxybutanedioic acid SMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br.C(C(C(=O)O)O)(C(=O)O)O
| PubChem CID | 72376318 |
|---|---|
| CAS | 70359-46-5 |
| Molecular Weight (g/mol) | 442.226 |
| SMILES | C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br.C(C(C(=O)O)O)(C(=O)O)O |
| Synonym | brimonidine tartrate,--tartaric acid; brimonidine |
| IUPAC Name | 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2R,3S)-2,3-dihydroxybutanedioic acid |
| InChI Key | QZHBYNSSDLTCRG-YKWZRPGSSA-N |
| Molecular Formula | C15H16BrN5O6 |
4-Chloromethyl-5-methyl-2-oxo-1,3-dioxole, 97%
CAS: 80841-78-7 Molecular Formula: C5H5ClO3 Molecular Weight (g/mol): 148.542 MDL Number: MFCD07787494 InChI Key: QCLFSYYUWPUWQR-UHFFFAOYSA-N Synonym: 4-chloromethyl-5-methyl-1,3-dioxol-2-one,4-cloromethyl-5-methyl-1,3-dioxol-2-one,4-chloromethyl-5-methyl-1,3-dioxolen-2-one,1,3-dioxol-2-one, 4-chloromethyl-5-methyl,4-choromethyl-5-methyl-2-oxo-1,3-dioxole,4-chloromethyl-5-methyl-2h-1,3-dioxol-2-one,pubchem10542,acmc-209pk7,ksc490e4r,4-chloromethyl-5methyl-1,3-dioxol-2-one PubChem CID: 9855518 IUPAC Name: 4-(chloromethyl)-5-methyl-1,3-dioxol-2-one SMILES: CC1=C(OC(=O)O1)CCl
| PubChem CID | 9855518 |
|---|---|
| CAS | 80841-78-7 |
| Molecular Weight (g/mol) | 148.542 |
| MDL Number | MFCD07787494 |
| SMILES | CC1=C(OC(=O)O1)CCl |
| Synonym | 4-chloromethyl-5-methyl-1,3-dioxol-2-one,4-cloromethyl-5-methyl-1,3-dioxol-2-one,4-chloromethyl-5-methyl-1,3-dioxolen-2-one,1,3-dioxol-2-one, 4-chloromethyl-5-methyl,4-choromethyl-5-methyl-2-oxo-1,3-dioxole,4-chloromethyl-5-methyl-2h-1,3-dioxol-2-one,pubchem10542,acmc-209pk7,ksc490e4r,4-chloromethyl-5methyl-1,3-dioxol-2-one |
| IUPAC Name | 4-(chloromethyl)-5-methyl-1,3-dioxol-2-one |
| InChI Key | QCLFSYYUWPUWQR-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClO3 |