Organic acids and derivatives
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Dimethyl Methylphosphonate, Spectrum™ Chemical
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Ethyl 3-Cyclohexene-1-carboxylate 95.0+%, TCI America™
CAS: 15111-56-5 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 MDL Number: MFCD00037158 InChI Key: BYNLHLLOIZDKIC-UHFFFAOYSA-N Synonym: 3-Cyclohexene-1-carboxylic Acid Ethyl Ester PubChem CID: 85803 IUPAC Name: ethyl cyclohex-3-ene-1-carboxylate SMILES: CCOC(=O)C1CCC=CC1
| PubChem CID | 85803 |
|---|---|
| CAS | 15111-56-5 |
| Molecular Weight (g/mol) | 154.209 |
| MDL Number | MFCD00037158 |
| SMILES | CCOC(=O)C1CCC=CC1 |
| Synonym | 3-Cyclohexene-1-carboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl cyclohex-3-ene-1-carboxylate |
| InChI Key | BYNLHLLOIZDKIC-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
1,3-Dimethyl-1H-pyrazole-5-carboxylic Acid 98.0+%, TCI America™
CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 1,3-dimethyl-1H-pyrazole-5-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O
| PubChem CID | 587721 |
|---|---|
| CAS | 5744-56-9 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00159636 |
| SMILES | CN1N=C(C)C=C1C(O)=O |
| Synonym | 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl |
| IUPAC Name | 1,3-dimethyl-1H-pyrazole-5-carboxylic acid |
| InChI Key | QRWZFUBHOQWUGH-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
Ethyl Lignocerate 98.0+%, TCI America™
CAS: 24634-95-5 Molecular Formula: C26H52O2 Molecular Weight (g/mol): 396.70 MDL Number: MFCD00048673 InChI Key: AKXFYSSXNQQBNT-UHFFFAOYSA-N Synonym: Lignoceric Acid Ethyl Ester, Ethyl Tetracosanoate, Tetracosanoic Acid Ethyl Ester PubChem CID: 141135 IUPAC Name: ethyl tetracosanoate SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC
| PubChem CID | 141135 |
|---|---|
| CAS | 24634-95-5 |
| Molecular Weight (g/mol) | 396.70 |
| MDL Number | MFCD00048673 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC |
| Synonym | Lignoceric Acid Ethyl Ester, Ethyl Tetracosanoate, Tetracosanoic Acid Ethyl Ester |
| IUPAC Name | ethyl tetracosanoate |
| InChI Key | AKXFYSSXNQQBNT-UHFFFAOYSA-N |
| Molecular Formula | C26H52O2 |
Ethylenediaminetetraacetic Acid Tetrasodium Salt, Solution, Spectrum™ Chemical
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CAS: 64-02-8 Molecular Formula: C10H12N2Na4O8 Molecular Weight (g/mol): 380.17 InChI Key: UEUXEKPTXMALOB-UHFFFAOYSA-J IUPAC Name: tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate SMILES: [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
| CAS | 64-02-8 |
|---|---|
| Molecular Weight (g/mol) | 380.17 |
| SMILES | [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O |
| IUPAC Name | tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate |
| InChI Key | UEUXEKPTXMALOB-UHFFFAOYSA-J |
| Molecular Formula | C10H12N2Na4O8 |
4-Fluoro-3-(tetrazol-5-yl)phenylboronic acid, 95%, Thermo Scientific™
CAS: 1009303-56-3 Molecular Formula: C7H6BFN4O2 Molecular Weight (g/mol): 207.96 MDL Number: MFCD13176533 InChI Key: FELFJHZMQYCKPT-UHFFFAOYSA-N Synonym: 4-fluoro-3-tetrazol-5-yl phenylboronic acid,4-fluoro-3-1h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-fluoro-3-1h-tetrazol-5-yl phenyl boronic acid,4-fluoro-3-1h-tetrazol-5-yl phenylboronic acid PubChem CID: 11287236 IUPAC Name: [4-fluoro-3-(2H-tetrazol-5-yl)phenyl]boronic acid SMILES: OB(O)C1=CC(C2=NNN=N2)=C(F)C=C1
| PubChem CID | 11287236 |
|---|---|
| CAS | 1009303-56-3 |
| Molecular Weight (g/mol) | 207.96 |
| MDL Number | MFCD13176533 |
| SMILES | OB(O)C1=CC(C2=NNN=N2)=C(F)C=C1 |
| Synonym | 4-fluoro-3-tetrazol-5-yl phenylboronic acid,4-fluoro-3-1h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-fluoro-3-1h-tetrazol-5-yl phenyl boronic acid,4-fluoro-3-1h-tetrazol-5-yl phenylboronic acid |
| IUPAC Name | [4-fluoro-3-(2H-tetrazol-5-yl)phenyl]boronic acid |
| InChI Key | FELFJHZMQYCKPT-UHFFFAOYSA-N |
| Molecular Formula | C7H6BFN4O2 |
alpha-Angelicalactone 98.0+%, TCI America™
CAS: 591-12-8 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00005375 InChI Key: QOTQFLOTGBBMEX-UHFFFAOYSA-N Synonym: alpha-angelica lactone,alpha-angelicalactone,5-methyl-2 3h-furanone,5-methylfuran-2 3h-one,2 3h-furanone, 5-methyl,4-hydroxypent-3-enoic acid lactone,delta 2-angelica lactone,4-hydroxy-3-pentenoic acid gamma-lactone,gamma-methyl-beta,gamma-crotonolactone,.alpha.-angelica lactone PubChem CID: 11559 ChEBI: CHEBI:36433 IUPAC Name: 5-methyl-2,3-dihydrofuran-2-one SMILES: CC1=CCC(=O)O1
| PubChem CID | 11559 |
|---|---|
| CAS | 591-12-8 |
| Molecular Weight (g/mol) | 98.10 |
| ChEBI | CHEBI:36433 |
| MDL Number | MFCD00005375 |
| SMILES | CC1=CCC(=O)O1 |
| Synonym | alpha-angelica lactone,alpha-angelicalactone,5-methyl-2 3h-furanone,5-methylfuran-2 3h-one,2 3h-furanone, 5-methyl,4-hydroxypent-3-enoic acid lactone,delta 2-angelica lactone,4-hydroxy-3-pentenoic acid gamma-lactone,gamma-methyl-beta,gamma-crotonolactone,.alpha.-angelica lactone |
| IUPAC Name | 5-methyl-2,3-dihydrofuran-2-one |
| InChI Key | QOTQFLOTGBBMEX-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
1,3-Diallylurea 98.0+%, TCI America™
CAS: 1801-72-5 Molecular Formula: C7H12N2O Molecular Weight (g/mol): 140.186 MDL Number: MFCD00008639 InChI Key: QRWVOJLTHSRPOA-UHFFFAOYSA-N Synonym: 1,3-diallylurea,n,n'-diallylurea,urea, n,n'-di-2-propenyl,urea, 1,3-diallyl,unii-lxm0xy469i,diallyl urea,lxm0xy469i,urea,n,n'-di-2-propen-1-yl,diallylurea,sinapoline PubChem CID: 74537 IUPAC Name: 1,3-bis(prop-2-enyl)urea SMILES: C=CCNC(=O)NCC=C
| PubChem CID | 74537 |
|---|---|
| CAS | 1801-72-5 |
| Molecular Weight (g/mol) | 140.186 |
| MDL Number | MFCD00008639 |
| SMILES | C=CCNC(=O)NCC=C |
| Synonym | 1,3-diallylurea,n,n'-diallylurea,urea, n,n'-di-2-propenyl,urea, 1,3-diallyl,unii-lxm0xy469i,diallyl urea,lxm0xy469i,urea,n,n'-di-2-propen-1-yl,diallylurea,sinapoline |
| IUPAC Name | 1,3-bis(prop-2-enyl)urea |
| InChI Key | QRWVOJLTHSRPOA-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2O |
Riboflavin Tetrabutyrate 98.0+%, TCI America™
CAS: 752-56-7 Molecular Formula: C33H44N4O10 Molecular Weight (g/mol): 656.733 MDL Number: MFCD00059691 InChI Key: MJNIWUJSIGSWKK-FSGGQHMVSA-N Synonym: Vitamin B2 Tetrabutyrate PubChem CID: 18640873 IUPAC Name: [(2S,3R,4R)-2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] butanoate SMILES: CCCC(=O)OCC(C(C(CN1C2=C(C=C(C(=C2)C)C)N=C3C1=NC(=O)NC3=O)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
| PubChem CID | 18640873 |
|---|---|
| CAS | 752-56-7 |
| Molecular Weight (g/mol) | 656.733 |
| MDL Number | MFCD00059691 |
| SMILES | CCCC(=O)OCC(C(C(CN1C2=C(C=C(C(=C2)C)C)N=C3C1=NC(=O)NC3=O)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC |
| Synonym | Vitamin B2 Tetrabutyrate |
| IUPAC Name | [(2S,3R,4R)-2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] butanoate |
| InChI Key | MJNIWUJSIGSWKK-FSGGQHMVSA-N |
| Molecular Formula | C33H44N4O10 |
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O
| PubChem CID | 587721 |
|---|---|
| CAS | 5744-56-9 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00159636 |
| SMILES | CN1N=C(C)C=C1C(O)=O |
| Synonym | 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl |
| IUPAC Name | 2,5-dimethylpyrazole-3-carboxylic acid |
| InChI Key | QRWZFUBHOQWUGH-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
Triethylsilyl Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 79271-56-0 Molecular Formula: C7H15F3O3SSi Molecular Weight (g/mol): 264.33 MDL Number: MFCD00000407 InChI Key: STMPXDBGVJZCEX-UHFFFAOYSA-N Synonym: triethylsilyl triflate,triethylsilyl trifluoromethanesulphonate,tes triflate,triethylsilyltriflate,triethylsilyltrifluoromethanesulfonate,trifluoromethanesulfonic acid triethylsilyl ester,1,1,1-triethylsilyl trifluoromethanesulfonate,methanesulfonic acid, trifluoro-, triethylsilyl ester,et3siotf,tesotf PubChem CID: 2733308 IUPAC Name: triethylsilyl trifluoromethanesulfonate SMILES: CC[Si](CC)(CC)OS(=O)(=O)C(F)(F)F
| PubChem CID | 2733308 |
|---|---|
| CAS | 79271-56-0 |
| Molecular Weight (g/mol) | 264.33 |
| MDL Number | MFCD00000407 |
| SMILES | CC[Si](CC)(CC)OS(=O)(=O)C(F)(F)F |
| Synonym | triethylsilyl triflate,triethylsilyl trifluoromethanesulphonate,tes triflate,triethylsilyltriflate,triethylsilyltrifluoromethanesulfonate,trifluoromethanesulfonic acid triethylsilyl ester,1,1,1-triethylsilyl trifluoromethanesulfonate,methanesulfonic acid, trifluoro-, triethylsilyl ester,et3siotf,tesotf |
| IUPAC Name | triethylsilyl trifluoromethanesulfonate |
| InChI Key | STMPXDBGVJZCEX-UHFFFAOYSA-N |
| Molecular Formula | C7H15F3O3SSi |
3-(tert-Butoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 220210-56-0 Molecular Formula: C11H15BO4 Molecular Weight (g/mol): 222.05 MDL Number: MFCD01630855 InChI Key: HVJDVHCPCSZDSR-UHFFFAOYSA-N PubChem CID: 2773299 IUPAC Name: {3-[(tert-butoxy)carbonyl]phenyl}boronic acid SMILES: CC(C)(C)OC(=O)C1=CC=CC(=C1)B(O)O
| PubChem CID | 2773299 |
|---|---|
| CAS | 220210-56-0 |
| Molecular Weight (g/mol) | 222.05 |
| MDL Number | MFCD01630855 |
| SMILES | CC(C)(C)OC(=O)C1=CC=CC(=C1)B(O)O |
| IUPAC Name | {3-[(tert-butoxy)carbonyl]phenyl}boronic acid |
| InChI Key | HVJDVHCPCSZDSR-UHFFFAOYSA-N |
| Molecular Formula | C11H15BO4 |
4-Acetamidopiperidine 98.0+%, TCI America™
CAS: 5810-56-0 Molecular Formula: C7H14N2O Molecular Weight (g/mol): 142.202 MDL Number: MFCD05254805 InChI Key: YLWUSMHZABTZGP-UHFFFAOYSA-N Synonym: 4-acetamidopiperidine,n-piperidin-4-yl acetamide,4-acetylamino-piperidine,4-acetylaminopiperidine,n-piperidin-4-yl-acetamide,acetamide, n-4-piperidinyl,4-acetylamino piperidine,n-4-piperidinyl acetamide,acmc-20aiud,pubchem9227 PubChem CID: 1445156 IUPAC Name: N-piperidin-4-ylacetamide SMILES: CC(=O)NC1CCNCC1
| PubChem CID | 1445156 |
|---|---|
| CAS | 5810-56-0 |
| Molecular Weight (g/mol) | 142.202 |
| MDL Number | MFCD05254805 |
| SMILES | CC(=O)NC1CCNCC1 |
| Synonym | 4-acetamidopiperidine,n-piperidin-4-yl acetamide,4-acetylamino-piperidine,4-acetylaminopiperidine,n-piperidin-4-yl-acetamide,acetamide, n-4-piperidinyl,4-acetylamino piperidine,n-4-piperidinyl acetamide,acmc-20aiud,pubchem9227 |
| IUPAC Name | N-piperidin-4-ylacetamide |
| InChI Key | YLWUSMHZABTZGP-UHFFFAOYSA-N |
| Molecular Formula | C7H14N2O |
Ethyl 4-Methoxycinnamate 98.0+%, TCI America™
CAS: 24393-56-4 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.241 MDL Number: MFCD00026906 InChI Key: DHNGCHLFKUPGPX-RMKNXTFCSA-N Synonym: 4-Methoxycinnamic Acid Ethyl Ester, Ethyl 3-(4-Methoxyphenyl)acrylate, 3-(4-Methoxyphenyl)acrylic Acid Ethyl Ester PubChem CID: 5281783 ChEBI: CHEBI:29015 IUPAC Name: ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate SMILES: CCOC(=O)C=CC1=CC=C(C=C1)OC
| PubChem CID | 5281783 |
|---|---|
| CAS | 24393-56-4 |
| Molecular Weight (g/mol) | 206.241 |
| ChEBI | CHEBI:29015 |
| MDL Number | MFCD00026906 |
| SMILES | CCOC(=O)C=CC1=CC=C(C=C1)OC |
| Synonym | 4-Methoxycinnamic Acid Ethyl Ester, Ethyl 3-(4-Methoxyphenyl)acrylate, 3-(4-Methoxyphenyl)acrylic Acid Ethyl Ester |
| IUPAC Name | ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate |
| InChI Key | DHNGCHLFKUPGPX-RMKNXTFCSA-N |
| Molecular Formula | C12H14O3 |
| PubChem CID | 113227 |
|---|---|
| CAS | 867-56-1 |
| Molecular Weight (g/mol) | 112.06 |
| MDL Number | MFCD00066576 |
| SMILES | CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O.Cl |
| Synonym | methyl red hydrochloride,unii-rfa0w63690,4-dimethylaminoazobenzene-2'-carboxylic acid hydrochloride,eaetho masculinei 2,methyl red, acs,2-4-dimethylamino phenyl azo benzoic acid monohydrochloride,c15h15n3o2.hcl,2-e-4-dimethylamino phenyl diazenyl benzoic acid hydrochloride 1:1,methyl red hydrochloride, acs reagent,2-4-dimethylaminophenyl diazenyl benzoic acid hydrochloride |
| IUPAC Name | 2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid;hydrochloride |
| InChI Key | ICTWKXAVJAHRMK-UHFFFAOYSA-N |
| Molecular Formula | C3H5NaO3 |