Organic acids and derivatives
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Phenylpropiolic Acid 98.0+%, TCI America™
CAS: 637-44-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00004361 InChI Key: XNERWVPQCYSMLC-UHFFFAOYSA-N Synonym: phenylpropiolic acid,3-phenylpropiolic acid,phenylpropynoic acid,3-phenylpropynoic acid,2-propynoic acid, 3-phenyl,phenylacetylenecarboxylic acid,3-phenyl-2-propynoic acid,phenylacetylene monocarboxylic acid,propiolic acid, 3-phenyl,phenyl propiolic acid PubChem CID: 69475 IUPAC Name: 3-phenylprop-2-ynoic acid SMILES: OC(=O)C#CC1=CC=CC=C1
| PubChem CID | 69475 |
|---|---|
| CAS | 637-44-5 |
| Molecular Weight (g/mol) | 146.15 |
| MDL Number | MFCD00004361 |
| SMILES | OC(=O)C#CC1=CC=CC=C1 |
| Synonym | phenylpropiolic acid,3-phenylpropiolic acid,phenylpropynoic acid,3-phenylpropynoic acid,2-propynoic acid, 3-phenyl,phenylacetylenecarboxylic acid,3-phenyl-2-propynoic acid,phenylacetylene monocarboxylic acid,propiolic acid, 3-phenyl,phenyl propiolic acid |
| IUPAC Name | 3-phenylprop-2-ynoic acid |
| InChI Key | XNERWVPQCYSMLC-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
Butyl Gallate 98.0+%, TCI America™
CAS: 1083-41-6 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.228 MDL Number: MFCD00016432 InChI Key: XOPOEBVTQYAOSV-UHFFFAOYSA-N Synonym: Gallic Acid Butyl Ester PubChem CID: 14128 IUPAC Name: butyl 3,4,5-trihydroxybenzoate SMILES: CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
| PubChem CID | 14128 |
|---|---|
| CAS | 1083-41-6 |
| Molecular Weight (g/mol) | 226.228 |
| MDL Number | MFCD00016432 |
| SMILES | CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Synonym | Gallic Acid Butyl Ester |
| IUPAC Name | butyl 3,4,5-trihydroxybenzoate |
| InChI Key | XOPOEBVTQYAOSV-UHFFFAOYSA-N |
| Molecular Formula | C11H14O5 |
Hexahydrophthalimide 98.0+%, TCI America™
CAS: 1444-94-6 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.181 MDL Number: MFCD00035737 InChI Key: WLDMPODMCFGWAA-UHFFFAOYSA-N Synonym: 1,2-Cyclohexanedicarboximide PubChem CID: 73559 IUPAC Name: 3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione SMILES: C1CCC2C(C1)C(=O)NC2=O
| PubChem CID | 73559 |
|---|---|
| CAS | 1444-94-6 |
| Molecular Weight (g/mol) | 153.181 |
| MDL Number | MFCD00035737 |
| SMILES | C1CCC2C(C1)C(=O)NC2=O |
| Synonym | 1,2-Cyclohexanedicarboximide |
| IUPAC Name | 3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione |
| InChI Key | WLDMPODMCFGWAA-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
2-Nitrobenzhydrazide 98.0+%, TCI America™
CAS: 606-26-8 Molecular Formula: C7H7N3O3 Molecular Weight (g/mol): 181.151 MDL Number: MFCD00007598 InChI Key: LYGGDXLOJMNFBV-UHFFFAOYSA-N Synonym: 2-nitrobenzhydrazide,o-nitrobenzohydrazide,o-nitrobenzhydrazide,2-nitro-benzoic acid hydrazide,2-nitrobenzoic hydrazide,benzoic acid, 2-nitro-, hydrazide,benzoylhydrazine, o-nitro,2-nitrobenzenecarbohydrazide,nitrobenzhydrazid,2-nitrobenzoylhydrazine PubChem CID: 3781218 IUPAC Name: 2-nitrobenzohydrazide SMILES: C1=CC=C(C(=C1)C(=O)NN)[N+](=O)[O-]
| PubChem CID | 3781218 |
|---|---|
| CAS | 606-26-8 |
| Molecular Weight (g/mol) | 181.151 |
| MDL Number | MFCD00007598 |
| SMILES | C1=CC=C(C(=C1)C(=O)NN)[N+](=O)[O-] |
| Synonym | 2-nitrobenzhydrazide,o-nitrobenzohydrazide,o-nitrobenzhydrazide,2-nitro-benzoic acid hydrazide,2-nitrobenzoic hydrazide,benzoic acid, 2-nitro-, hydrazide,benzoylhydrazine, o-nitro,2-nitrobenzenecarbohydrazide,nitrobenzhydrazid,2-nitrobenzoylhydrazine |
| IUPAC Name | 2-nitrobenzohydrazide |
| InChI Key | LYGGDXLOJMNFBV-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3O3 |
3-Methylvaleric Acid 98.0+%, TCI America™
CAS: 105-43-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002729,MFCD02262177 InChI Key: IGIDLTISMCAULB-UHFFFAOYNA-N Synonym: 3-methylvaleric acid,3-methyl-pentanoic acid,pentanoic acid, 3-methyl,3-methyl valeric acid,dl-3-methylvaleric acid,3-methyl pentanoic acid,sec-butylacetic acid,valeric acid, 3-methyl,beta-methylvaleric acid,3-methyl-n-valeric acid PubChem CID: 7755 IUPAC Name: 3-methylpentanoic acid SMILES: CCC(C)CC(O)=O
| PubChem CID | 7755 |
|---|---|
| CAS | 105-43-1 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00002729,MFCD02262177 |
| SMILES | CCC(C)CC(O)=O |
| Synonym | 3-methylvaleric acid,3-methyl-pentanoic acid,pentanoic acid, 3-methyl,3-methyl valeric acid,dl-3-methylvaleric acid,3-methyl pentanoic acid,sec-butylacetic acid,valeric acid, 3-methyl,beta-methylvaleric acid,3-methyl-n-valeric acid |
| IUPAC Name | 3-methylpentanoic acid |
| InChI Key | IGIDLTISMCAULB-UHFFFAOYNA-N |
| Molecular Formula | C6H12O2 |
4-Acetylmorpholine 99.0+%, TCI America™
CAS: 1696-20-4 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.159 MDL Number: MFCD00006171 InChI Key: KYWXRBNOYGGPIZ-UHFFFAOYSA-N Synonym: 4-acetylmorpholine,n-acetylmorpholine,1-morpholinoethanone,morpholine, 4-acetyl,n-acetylmorfolin,n-acetylmorfolin czech,ethanone, 1-4-morpholinyl,n-acetyl morpholine,1-morpholin-4-yl ethan-1-one,acetylmorpholine PubChem CID: 15543 IUPAC Name: 1-morpholin-4-ylethanone SMILES: CC(=O)N1CCOCC1
| PubChem CID | 15543 |
|---|---|
| CAS | 1696-20-4 |
| Molecular Weight (g/mol) | 129.159 |
| MDL Number | MFCD00006171 |
| SMILES | CC(=O)N1CCOCC1 |
| Synonym | 4-acetylmorpholine,n-acetylmorpholine,1-morpholinoethanone,morpholine, 4-acetyl,n-acetylmorfolin,n-acetylmorfolin czech,ethanone, 1-4-morpholinyl,n-acetyl morpholine,1-morpholin-4-yl ethan-1-one,acetylmorpholine |
| IUPAC Name | 1-morpholin-4-ylethanone |
| InChI Key | KYWXRBNOYGGPIZ-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO2 |
1,3-Dibromo-5,5-dimethylhydantoin 97.0+%, TCI America™
CAS: 77-48-5 Molecular Formula: C5H6Br2N2O2 Molecular Weight (g/mol): 285.923 MDL Number: MFCD00003189 InChI Key: VRLDVERQJMEPIF-UHFFFAOYSA-N Synonym: 1,3-dibromo-5,5-dimethylhydantoin,dibromantin,dibromantine,take charge orange,dbdmh,n,n'-dibromodimethylhydantoin,5,5-dimethyl-1,3-dibromohydantoin,2,4-imidazolidinedione, 1,3-dibromo-5,5-dimethyl,1,3-dibromo-5,5-dimethyl-2,4-imidazolidinedione,unii-v9r5f9i7mz PubChem CID: 6479 IUPAC Name: 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C(=O)N(C(=O)N1Br)Br)C
| PubChem CID | 6479 |
|---|---|
| CAS | 77-48-5 |
| Molecular Weight (g/mol) | 285.923 |
| MDL Number | MFCD00003189 |
| SMILES | CC1(C(=O)N(C(=O)N1Br)Br)C |
| Synonym | 1,3-dibromo-5,5-dimethylhydantoin,dibromantin,dibromantine,take charge orange,dbdmh,n,n'-dibromodimethylhydantoin,5,5-dimethyl-1,3-dibromohydantoin,2,4-imidazolidinedione, 1,3-dibromo-5,5-dimethyl,1,3-dibromo-5,5-dimethyl-2,4-imidazolidinedione,unii-v9r5f9i7mz |
| IUPAC Name | 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | VRLDVERQJMEPIF-UHFFFAOYSA-N |
| Molecular Formula | C5H6Br2N2O2 |
Methyl 1-Adamantanecarboxylate 98.0+%, TCI America™
CAS: 711-01-3 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.274 MDL Number: MFCD01838519 InChI Key: CLYOOVNORYNXMD-UHFFFAOYSA-N Synonym: 1-Adamantanecarboxylic Acid Methyl Ester PubChem CID: 136553 IUPAC Name: methyl adamantane-1-carboxylate SMILES: COC(=O)C12CC3CC(C1)CC(C3)C2
| PubChem CID | 136553 |
|---|---|
| CAS | 711-01-3 |
| Molecular Weight (g/mol) | 194.274 |
| MDL Number | MFCD01838519 |
| SMILES | COC(=O)C12CC3CC(C1)CC(C3)C2 |
| Synonym | 1-Adamantanecarboxylic Acid Methyl Ester |
| IUPAC Name | methyl adamantane-1-carboxylate |
| InChI Key | CLYOOVNORYNXMD-UHFFFAOYSA-N |
| Molecular Formula | C12H18O2 |
1H,1H,5H-Octafluoropentyl Methacrylate (stabilized with MEHQ) 98.0+%, TCI America™
CAS: 355-93-1 Molecular Formula: C9H8F8O2 Molecular Weight (g/mol): 300.15 MDL Number: MFCD00039278 InChI Key: ZNJXRXXJPIFFAO-UHFFFAOYSA-N Synonym: 1h,1h,5h-octafluoropentyl methacrylate,2,2,3,3,4,4,5,5-octafluoropentyl methacrylate,octafluoropentyl methacrylate,1h,1h,5h-perfluoropentyl methacrylate,1h,1h,5h-octafluoropentyl methacrylate stabilized with mehq,2-propenoic acid, 2-methyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester,methacrylic acid 1h,1h,5h-perfluoropentyl ester,methacrylic acid 1h,1h,5h-octafluoropentyl ester,octafluoropentyl methacrylate polymer,1h,1h,5h-octafluoropentylmethacrylate PubChem CID: 67739 IUPAC Name: 2,2,3,3,4,4,5,5-octafluoropentyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
| PubChem CID | 67739 |
|---|---|
| CAS | 355-93-1 |
| Molecular Weight (g/mol) | 300.15 |
| MDL Number | MFCD00039278 |
| SMILES | CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F |
| Synonym | 1h,1h,5h-octafluoropentyl methacrylate,2,2,3,3,4,4,5,5-octafluoropentyl methacrylate,octafluoropentyl methacrylate,1h,1h,5h-perfluoropentyl methacrylate,1h,1h,5h-octafluoropentyl methacrylate stabilized with mehq,2-propenoic acid, 2-methyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester,methacrylic acid 1h,1h,5h-perfluoropentyl ester,methacrylic acid 1h,1h,5h-octafluoropentyl ester,octafluoropentyl methacrylate polymer,1h,1h,5h-octafluoropentylmethacrylate |
| IUPAC Name | 2,2,3,3,4,4,5,5-octafluoropentyl 2-methylprop-2-enoate |
| InChI Key | ZNJXRXXJPIFFAO-UHFFFAOYSA-N |
| Molecular Formula | C9H8F8O2 |
Methyl 2-(Aminosulfonylmethyl)benzoate 98.0+%, TCI America™
CAS: 112941-26-1 Molecular Formula: C9H11NO4S Molecular Weight (g/mol): 229.25 MDL Number: MFCD03265370 InChI Key: DBOUFTHAEAVMJC-UHFFFAOYSA-N Synonym: 2-(Aminosulfonylmethyl)benzoic Acid Methyl Ester, o-Carbomethoxybenzyl Sulfonamide PubChem CID: 13958774 IUPAC Name: methyl 2-(sulfamoylmethyl)benzoate SMILES: COC(=O)C1=CC=CC=C1CS(=O)(=O)N
| PubChem CID | 13958774 |
|---|---|
| CAS | 112941-26-1 |
| Molecular Weight (g/mol) | 229.25 |
| MDL Number | MFCD03265370 |
| SMILES | COC(=O)C1=CC=CC=C1CS(=O)(=O)N |
| Synonym | 2-(Aminosulfonylmethyl)benzoic Acid Methyl Ester, o-Carbomethoxybenzyl Sulfonamide |
| IUPAC Name | methyl 2-(sulfamoylmethyl)benzoate |
| InChI Key | DBOUFTHAEAVMJC-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO4S |
L-Ascorbyl 2,6-Dibutyrate 98.0+%, TCI America™
CAS: 4337-04-6 Molecular Formula: C14H20O8 Molecular Weight (g/mol): 316.31 MDL Number: MFCD00144561 InChI Key: BFXWCTCPRAYDEB-UHFFFAOYNA-N Synonym: 2,6-Di-O-butyryl-L-ascorbic Acid PubChem CID: 124632456 IUPAC Name: [(2R)-2-[(2S)-4-butanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] butanoate SMILES: CCCC(=O)OCC(C1C(=C(C(=O)O1)OC(=O)CCC)O)O
| PubChem CID | 124632456 |
|---|---|
| CAS | 4337-04-6 |
| Molecular Weight (g/mol) | 316.31 |
| MDL Number | MFCD00144561 |
| SMILES | CCCC(=O)OCC(C1C(=C(C(=O)O1)OC(=O)CCC)O)O |
| Synonym | 2,6-Di-O-butyryl-L-ascorbic Acid |
| IUPAC Name | [(2R)-2-[(2S)-4-butanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] butanoate |
| InChI Key | BFXWCTCPRAYDEB-UHFFFAOYNA-N |
| Molecular Formula | C14H20O8 |
2-(p-Toluenesulfonyloxy)acetic Acid 97.0+%, TCI America™
CAS: 39794-77-9 Molecular Formula: C9H10O5S Molecular Weight (g/mol): 230.234 MDL Number: MFCD00021764 InChI Key: NSORSORRXHLKQV-UHFFFAOYSA-N Synonym: 2-(Tosyloxy)acetic Acid PubChem CID: 226266 IUPAC Name: 2-(4-methylphenyl)sulfonyloxyacetic acid SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)O
| PubChem CID | 226266 |
|---|---|
| CAS | 39794-77-9 |
| Molecular Weight (g/mol) | 230.234 |
| MDL Number | MFCD00021764 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)O |
| Synonym | 2-(Tosyloxy)acetic Acid |
| IUPAC Name | 2-(4-methylphenyl)sulfonyloxyacetic acid |
| InChI Key | NSORSORRXHLKQV-UHFFFAOYSA-N |
| Molecular Formula | C9H10O5S |
Methyl Formate 98.0+%, TCI America™
CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O
| PubChem CID | 7865 |
|---|---|
| CAS | 107-31-3 |
| Molecular Weight (g/mol) | 60.05 |
| ChEBI | CHEBI:77699 |
| MDL Number | MFCD00003291 |
| SMILES | COC=O |
| Synonym | formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 |
| IUPAC Name | methyl formate |
| InChI Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| Molecular Formula | C2H4O2 |
tert-Butyl Propionate 98.0+%, TCI America™
CAS: 20487-40-5 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009304 InChI Key: JAELLLITIZHOGQ-UHFFFAOYSA-N Synonym: tert-butyl propionate,propanoic acid, 1,1-dimethylethyl ester,propionic acid, tert-butyl ester,t-butyl propionate,t-butyl propanoate,tert-butylpropionate,1,1-dimethylethyl propionate,tert-?butyl propionate,propionic acid tert-butyl ester,acmc-1cr5r PubChem CID: 88561 IUPAC Name: tert-butyl propanoate SMILES: CCC(=O)OC(C)(C)C
| PubChem CID | 88561 |
|---|---|
| CAS | 20487-40-5 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00009304 |
| SMILES | CCC(=O)OC(C)(C)C |
| Synonym | tert-butyl propionate,propanoic acid, 1,1-dimethylethyl ester,propionic acid, tert-butyl ester,t-butyl propionate,t-butyl propanoate,tert-butylpropionate,1,1-dimethylethyl propionate,tert-?butyl propionate,propionic acid tert-butyl ester,acmc-1cr5r |
| IUPAC Name | tert-butyl propanoate |
| InChI Key | JAELLLITIZHOGQ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Ethylurea 95.0+%, TCI America™
CAS: 625-52-5 Molecular Formula: C3H8N2O Molecular Weight (g/mol): 88.11 MDL Number: MFCD00007953 InChI Key: RYECOJGRJDOGPP-UHFFFAOYSA-N Synonym: 1-ethylurea,n-ethylurea,urea, ethyl,urea, 1-ethyl,polyurethane,urea, n-ethyl,ethyl urea,pellethane,athylisoharnstoff PubChem CID: 12254 IUPAC Name: ethylurea SMILES: CCNC(N)=O
| PubChem CID | 12254 |
|---|---|
| CAS | 625-52-5 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00007953 |
| SMILES | CCNC(N)=O |
| Synonym | 1-ethylurea,n-ethylurea,urea, ethyl,urea, 1-ethyl,polyurethane,urea, n-ethyl,ethyl urea,pellethane,athylisoharnstoff |
| IUPAC Name | ethylurea |
| InChI Key | RYECOJGRJDOGPP-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O |