Organic acids and derivatives
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Ethyl oxamate, 99%
CAS: 617-36-7 MDL Number: MFCD00008005 InChI Key: RZMZBHSKPLVQCP-UHFFFAOYSA-N Synonym: ethyl oxamate,ethyl carbamoylformate,oxamic acid ethyl ester,ethyl amino oxo acetate,oxamethane,acetic acid, aminooxo-, ethyl ester,ethoxalamide,oxamidic acid ethyl ester,ethoxy carbonyl formamide,oxalic acid, monoethyl ester amide PubChem CID: 69238 IUPAC Name: ethyl 2-amino-2-oxoacetate SMILES: CCOC(=O)C(=O)N
| PubChem CID | 69238 |
|---|---|
| CAS | 617-36-7 |
| MDL Number | MFCD00008005 |
| SMILES | CCOC(=O)C(=O)N |
| Synonym | ethyl oxamate,ethyl carbamoylformate,oxamic acid ethyl ester,ethyl amino oxo acetate,oxamethane,acetic acid, aminooxo-, ethyl ester,ethoxalamide,oxamidic acid ethyl ester,ethoxy carbonyl formamide,oxalic acid, monoethyl ester amide |
| IUPAC Name | ethyl 2-amino-2-oxoacetate |
| InChI Key | RZMZBHSKPLVQCP-UHFFFAOYSA-N |
DL-Mercaptosuccinic acid, 99%
CAS: 70-49-5 Molecular Formula: C4H6O4S Molecular Weight (g/mol): 150.15 InChI Key: NJRXVEJTAYWCQJ-UHFFFAOYSA-N Synonym: mercaptosuccinic acid,thiomalic acid,2-thiomalic acid,2-mercaptosuccinic acid,monomercaptosuccinic acid,butanedioic acid, mercapto,malic acid, 2-thio,mercaptosuccinate,2-sulfanylsuccinic acid,dl-mercaptosuccinic acid PubChem CID: 6268 ChEBI: CHEBI:38705 IUPAC Name: 2-sulfanylbutanedioic acid SMILES: C(C(C(=O)O)S)C(=O)O
| PubChem CID | 6268 |
|---|---|
| CAS | 70-49-5 |
| Molecular Weight (g/mol) | 150.15 |
| ChEBI | CHEBI:38705 |
| SMILES | C(C(C(=O)O)S)C(=O)O |
| Synonym | mercaptosuccinic acid,thiomalic acid,2-thiomalic acid,2-mercaptosuccinic acid,monomercaptosuccinic acid,butanedioic acid, mercapto,malic acid, 2-thio,mercaptosuccinate,2-sulfanylsuccinic acid,dl-mercaptosuccinic acid |
| IUPAC Name | 2-sulfanylbutanedioic acid |
| InChI Key | NJRXVEJTAYWCQJ-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4S |
2,2,3,3,3-Pentafluoropropyl acrylate, 97%
CAS: 356-86-5 Molecular Formula: C6H5F5O2 Molecular Weight (g/mol): 204.10 MDL Number: MFCD00039257 InChI Key: JDVGNKIUXZQTFD-UHFFFAOYSA-N Synonym: 2,2,3,3,3-pentafluoropropyl acrylate,1h,1h-pentafluoropropyl acrylate,2-propenoic acid, 2,2,3,3,3-pentafluoropropyl ester,acmc-20aokp,acrylic acid=2,2,3,3,3-pentafluoropropyl ester,acrylic acid 2,2,3,3,3-pentafluoropropyl ester,2-propenoic acid,2,2,3,3,3-pentafluoropropyl ester,2,2,3,3,3-pentafluoropropyl acrylate stabilized with tbc,2,2,3,3,3-pentafluoropropyl acrylate, contains 100 ppm 4-tert-butylcatechol as inhibitor PubChem CID: 67744 IUPAC Name: 2,2,3,3,3-pentafluoropropyl prop-2-enoate SMILES: FC(F)(F)C(F)(F)COC(=O)C=C
| PubChem CID | 67744 |
|---|---|
| CAS | 356-86-5 |
| Molecular Weight (g/mol) | 204.10 |
| MDL Number | MFCD00039257 |
| SMILES | FC(F)(F)C(F)(F)COC(=O)C=C |
| Synonym | 2,2,3,3,3-pentafluoropropyl acrylate,1h,1h-pentafluoropropyl acrylate,2-propenoic acid, 2,2,3,3,3-pentafluoropropyl ester,acmc-20aokp,acrylic acid=2,2,3,3,3-pentafluoropropyl ester,acrylic acid 2,2,3,3,3-pentafluoropropyl ester,2-propenoic acid,2,2,3,3,3-pentafluoropropyl ester,2,2,3,3,3-pentafluoropropyl acrylate stabilized with tbc,2,2,3,3,3-pentafluoropropyl acrylate, contains 100 ppm 4-tert-butylcatechol as inhibitor |
| IUPAC Name | 2,2,3,3,3-pentafluoropropyl prop-2-enoate |
| InChI Key | JDVGNKIUXZQTFD-UHFFFAOYSA-N |
| Molecular Formula | C6H5F5O2 |
3,4,6-Tri-O-acetyl-D-glucal, 98%, Thermo Scientific Chemicals
CAS: 2873-29-2 Molecular Formula: C12H16O7 Molecular Weight (g/mol): 272.253 MDL Number: MFCD00063253 InChI Key: LLPWGHLVUPBSLP-UTUOFQBUSA-N Synonym: tri-o-acetyl-d-glucal,3,4,6-tri-o-acetyl-d-glucal,2r,3s,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-glucal triacetate,3,4,6-tri-o-acetyl-1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol,arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate,tri-o-acetylglucal,triacetyl-d-glucal,2r,3s,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,tri-o-acetyl-glucal PubChem CID: 688303 IUPAC Name: [(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C
| PubChem CID | 688303 |
|---|---|
| CAS | 2873-29-2 |
| Molecular Weight (g/mol) | 272.253 |
| MDL Number | MFCD00063253 |
| SMILES | CC(=O)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C |
| Synonym | tri-o-acetyl-d-glucal,3,4,6-tri-o-acetyl-d-glucal,2r,3s,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-glucal triacetate,3,4,6-tri-o-acetyl-1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol,arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate,tri-o-acetylglucal,triacetyl-d-glucal,2r,3s,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,tri-o-acetyl-glucal |
| IUPAC Name | [(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate |
| InChI Key | LLPWGHLVUPBSLP-UTUOFQBUSA-N |
| Molecular Formula | C12H16O7 |
Dess-Martin periodinane
CAS: 87413-09-0 Molecular Formula: C13H13IO8 Molecular Weight (g/mol): 424.14 MDL Number: MFCD00130127 InChI Key: NKLCNNUWBJBICK-UHFFFAOYSA-N PubChem CID: 159087 SMILES: CC(=O)O[I]1(OC(C)=O)(OC(C)=O)OC(=O)C2=CC=CC=C12
| PubChem CID | 159087 |
|---|---|
| CAS | 87413-09-0 |
| Molecular Weight (g/mol) | 424.14 |
| MDL Number | MFCD00130127 |
| SMILES | CC(=O)O[I]1(OC(C)=O)(OC(C)=O)OC(=O)C2=CC=CC=C12 |
| InChI Key | NKLCNNUWBJBICK-UHFFFAOYSA-N |
| Molecular Formula | C13H13IO8 |
1-Thio-beta-D-glucose tetraacetate, 98+%
CAS: 19879-84-6 Molecular Formula: C14H20O9S Molecular Weight (g/mol): 364.37 MDL Number: MFCD00063271 InChI Key: SFOZKJGZNOBSHF-UHFFFAOYNA-N Synonym: 1-thio-beta-d-glucose tetraacetate,2r,3r,4s,5r,6s-2-acetoxymethyl-6-mercaptotetrahydro-2h-pyran-3,4,5-triyl triacetate,1-thio-b-d-glucose tetraacetate,1-thio-beta-d-glucose 2,3,4,6-tetraacetate,2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose,1-thio-,a-d-glucose tetraacetate,2r,3r,4s,5r,6s-3,4,5-tris acetyloxy-6-sulfanyloxan-2-yl methyl acetate,2,3,4,6-tetra-o-acetyl-1-thio-,a-d-glucopyranose,beta-d-thioglucose tetraacetate,1-thio-ss-d-glucose tetraacetate PubChem CID: 88293 IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyloxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
| PubChem CID | 88293 |
|---|---|
| CAS | 19879-84-6 |
| Molecular Weight (g/mol) | 364.37 |
| MDL Number | MFCD00063271 |
| SMILES | CC(=O)OCC1OC(S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| Synonym | 1-thio-beta-d-glucose tetraacetate,2r,3r,4s,5r,6s-2-acetoxymethyl-6-mercaptotetrahydro-2h-pyran-3,4,5-triyl triacetate,1-thio-b-d-glucose tetraacetate,1-thio-beta-d-glucose 2,3,4,6-tetraacetate,2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose,1-thio-,a-d-glucose tetraacetate,2r,3r,4s,5r,6s-3,4,5-tris acetyloxy-6-sulfanyloxan-2-yl methyl acetate,2,3,4,6-tetra-o-acetyl-1-thio-,a-d-glucopyranose,beta-d-thioglucose tetraacetate,1-thio-ss-d-glucose tetraacetate |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyloxan-2-yl]methyl acetate |
| InChI Key | SFOZKJGZNOBSHF-UHFFFAOYNA-N |
| Molecular Formula | C14H20O9S |
2-Aminoethyl hydrogen sulfate, 99%
CAS: 926-39-6 Molecular Formula: C2H7NO4S Molecular Weight (g/mol): 141.14 MDL Number: MFCD00008179 InChI Key: WSYUEVRAMDSJKL-UHFFFAOYSA-N Synonym: ethanolamine o-sulfate,aminoethyl sulfate,2-aminoethyl sulfate,mono 2-aminoethyl sulfate,2-aminoethyl hydrogen sulphate,sulfuric acid mono 2-aminoethyl ester,was-34,2-aminoethylhydrogensulfate,unii-9c8f910hlk,ethanol, 2-amino-, hydrogen sulfate ester PubChem CID: 70223 IUPAC Name: 2-aminoethyl hydrogen sulfate SMILES: NCCOS(O)(=O)=O
| PubChem CID | 70223 |
|---|---|
| CAS | 926-39-6 |
| Molecular Weight (g/mol) | 141.14 |
| MDL Number | MFCD00008179 |
| SMILES | NCCOS(O)(=O)=O |
| Synonym | ethanolamine o-sulfate,aminoethyl sulfate,2-aminoethyl sulfate,mono 2-aminoethyl sulfate,2-aminoethyl hydrogen sulphate,sulfuric acid mono 2-aminoethyl ester,was-34,2-aminoethylhydrogensulfate,unii-9c8f910hlk,ethanol, 2-amino-, hydrogen sulfate ester |
| IUPAC Name | 2-aminoethyl hydrogen sulfate |
| InChI Key | WSYUEVRAMDSJKL-UHFFFAOYSA-N |
| Molecular Formula | C2H7NO4S |
2-Hydroxybenzimidazole, 97%
CAS: 615-16-7 Molecular Formula: C7H6N2O Molecular Weight (g/mol): 134.14 MDL Number: MFCD00127894 InChI Key: SILNNFMWIMZVEQ-UHFFFAOYSA-N Synonym: 2-hydroxybenzimidazole,2-benzimidazolol,2-benzimidazolinone,o-phenyleneurea,2-benzimidazolone,2-oxobenzimidazole,2 3h-benzimidazolone,1,3-dihydro-2h-benzimidazol-2-one,2h-benzimidazol-2-one, 1,3-dihydro,benzamidazole-2 3h-one PubChem CID: 11985 IUPAC Name: 1,3-dihydrobenzimidazol-2-one SMILES: O=C1NC2=CC=CC=C2N1
| PubChem CID | 11985 |
|---|---|
| CAS | 615-16-7 |
| Molecular Weight (g/mol) | 134.14 |
| MDL Number | MFCD00127894 |
| SMILES | O=C1NC2=CC=CC=C2N1 |
| Synonym | 2-hydroxybenzimidazole,2-benzimidazolol,2-benzimidazolinone,o-phenyleneurea,2-benzimidazolone,2-oxobenzimidazole,2 3h-benzimidazolone,1,3-dihydro-2h-benzimidazol-2-one,2h-benzimidazol-2-one, 1,3-dihydro,benzamidazole-2 3h-one |
| IUPAC Name | 1,3-dihydrobenzimidazol-2-one |
| InChI Key | SILNNFMWIMZVEQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O |
3,3-Diethoxy-1-propylboronic acid pinacol ester, 97%, Thermo Scientific Chemicals
CAS: 165904-27-8 Molecular Formula: C13H27BO4 Molecular Weight (g/mol): 258.165 MDL Number: MFCD03788723 InChI Key: VEDSPUPKZZMMLL-UHFFFAOYSA-N Synonym: 3,3-diethoxy-1-propylboronic acid pinacol ester,2-3,3-diethoxypropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-propanal diethyl acetal PubChem CID: 12115795 IUPAC Name: 2-(3,3-diethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)CCC(OCC)OCC
| PubChem CID | 12115795 |
|---|---|
| CAS | 165904-27-8 |
| Molecular Weight (g/mol) | 258.165 |
| MDL Number | MFCD03788723 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)CCC(OCC)OCC |
| Synonym | 3,3-diethoxy-1-propylboronic acid pinacol ester,2-3,3-diethoxypropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-propanal diethyl acetal |
| IUPAC Name | 2-(3,3-diethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | VEDSPUPKZZMMLL-UHFFFAOYSA-N |
| Molecular Formula | C13H27BO4 |
Triethyl 2-fluoro-2-phosphonoacetate, 96%
CAS: 2356-16-3 Molecular Formula: C8H16FO5P Molecular Weight (g/mol): 242.183 MDL Number: MFCD00134400 InChI Key: FVPISMANESAJQZ-UHFFFAOYSA-N Synonym: triethyl 2-fluoro-2-phosphonoacetate,2-fluoro-2-phosphonoacetic acid triethyl ester,ethyl 2-diethoxyphosphoryl-2-fluoroacetate,triethyl phosphonofluoroacetate,ethyl diethoxyphosphoryl fluoro acetate,triethyl-2-fluoro-2-phosphonoacetate,acetic acid, diethoxyphosphinyl fluoro-, ethyl ester,2-fluoro-2-phosphonoacetic acidtriethylester,diethyl ethoxycarbonyl fluoromethyl phosphonate,diethoxyphosphinyl fluoroacetic acid ethyl ester PubChem CID: 2734865 IUPAC Name: ethyl 2-diethoxyphosphoryl-2-fluoroacetate SMILES: CCOC(=O)C(F)P(=O)(OCC)OCC
| PubChem CID | 2734865 |
|---|---|
| CAS | 2356-16-3 |
| Molecular Weight (g/mol) | 242.183 |
| MDL Number | MFCD00134400 |
| SMILES | CCOC(=O)C(F)P(=O)(OCC)OCC |
| Synonym | triethyl 2-fluoro-2-phosphonoacetate,2-fluoro-2-phosphonoacetic acid triethyl ester,ethyl 2-diethoxyphosphoryl-2-fluoroacetate,triethyl phosphonofluoroacetate,ethyl diethoxyphosphoryl fluoro acetate,triethyl-2-fluoro-2-phosphonoacetate,acetic acid, diethoxyphosphinyl fluoro-, ethyl ester,2-fluoro-2-phosphonoacetic acidtriethylester,diethyl ethoxycarbonyl fluoromethyl phosphonate,diethoxyphosphinyl fluoroacetic acid ethyl ester |
| IUPAC Name | ethyl 2-diethoxyphosphoryl-2-fluoroacetate |
| InChI Key | FVPISMANESAJQZ-UHFFFAOYSA-N |
| Molecular Formula | C8H16FO5P |
Ethyl (ethoxymethylene)cyanoacetate, 98%
CAS: 94-05-3 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00009136 InChI Key: KTMGNAIGXYODKQ-SREVYHEPSA-N Synonym: ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate PubChem CID: 1715183 SMILES: CCO\C=C(\C#N)C(=O)OCC
| PubChem CID | 1715183 |
|---|---|
| CAS | 94-05-3 |
| Molecular Weight (g/mol) | 169.18 |
| MDL Number | MFCD00009136 |
| SMILES | CCO\C=C(\C#N)C(=O)OCC |
| Synonym | ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate |
| InChI Key | KTMGNAIGXYODKQ-SREVYHEPSA-N |
| Molecular Formula | C8H11NO3 |
Ethyl indole-2-carboxylate, 97%
CAS: 3770-50-1 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00005609 InChI Key: QQXQAEWRSVZPJM-UHFFFAOYSA-N Synonym: ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole PubChem CID: 73125 IUPAC Name: ethyl 1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 73125 |
|---|---|
| CAS | 3770-50-1 |
| Molecular Weight (g/mol) | 189.21 |
| MDL Number | MFCD00005609 |
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole |
| IUPAC Name | ethyl 1H-indole-2-carboxylate |
| InChI Key | QQXQAEWRSVZPJM-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2 |
| CAS | 67-43-6 |
|---|
Ethyl 3-methyl-1H-pyrazole-5-carboxylate, 97%
CAS: 4027-57-0 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00052514 InChI Key: BOTXQJAHRCGJEG-UHFFFAOYSA-N PubChem CID: 77645 IUPAC Name: ethyl 5-methyl-1H-pyrazole-3-carboxylate SMILES: CCOC(=O)C1=NNC(C)=C1
| PubChem CID | 77645 |
|---|---|
| CAS | 4027-57-0 |
| Molecular Weight (g/mol) | 154.17 |
| MDL Number | MFCD00052514 |
| SMILES | CCOC(=O)C1=NNC(C)=C1 |
| IUPAC Name | ethyl 5-methyl-1H-pyrazole-3-carboxylate |
| InChI Key | BOTXQJAHRCGJEG-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |
| CAS | 616-38-6 |
|---|