Organic acids and derivatives
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Thapsigargin, 97%
CAS: 67526-95-8 Molecular Formula: C34H50O12 Molecular Weight (g/mol): 650.76 MDL Number: MFCD00083511 InChI Key: IXFPJGBNCFXKPI-FSIHEZPISA-N PubChem CID: 126969181 IUPAC Name: [(3S,3aR,4S,6S,6aS,7S,8S,9bR)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
| PubChem CID | 126969181 |
|---|---|
| CAS | 67526-95-8 |
| Molecular Weight (g/mol) | 650.76 |
| MDL Number | MFCD00083511 |
| SMILES | CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |
| IUPAC Name | [(3S,3aR,4S,6S,6aS,7S,8S,9bR)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate |
| InChI Key | IXFPJGBNCFXKPI-FSIHEZPISA-N |
| Molecular Formula | C34H50O12 |
Ethyl cyanoformate, 99%
CAS: 623-49-4 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00001836 InChI Key: MSMGXWFHBSCQFB-UHFFFAOYSA-N Synonym: carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate PubChem CID: 69336 IUPAC Name: ethyl cyanoformate SMILES: CCOC(=O)C#N
| PubChem CID | 69336 |
|---|---|
| CAS | 623-49-4 |
| Molecular Weight (g/mol) | 99.09 |
| MDL Number | MFCD00001836 |
| SMILES | CCOC(=O)C#N |
| Synonym | carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate |
| IUPAC Name | ethyl cyanoformate |
| InChI Key | MSMGXWFHBSCQFB-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO2 |
Ethyl 3-pyridylacetate, 99%
CAS: 39931-77-6 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00006411 InChI Key: RPWXYCRIAGBAGY-UHFFFAOYSA-N Synonym: ethyl 3-pyridylacetate,ethyl 2-pyridin-3-yl acetate,ethyl 3-pyridineacetate,3-pyridineacetic acid, ethyl ester,acetic acid, 2-3-pyridyl-, ethyl ester,pyridin-3-yl-acetic acid ethyl ester,3-pyridylacetic acid ethyl ester,ethyl 2-3-pyridyl acetate,pubchem20506,ethyl-3-pyridyl-acetate PubChem CID: 96490 IUPAC Name: ethyl 2-pyridin-3-ylacetate SMILES: CCOC(=O)CC1=CN=CC=C1
| PubChem CID | 96490 |
|---|---|
| CAS | 39931-77-6 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD00006411 |
| SMILES | CCOC(=O)CC1=CN=CC=C1 |
| Synonym | ethyl 3-pyridylacetate,ethyl 2-pyridin-3-yl acetate,ethyl 3-pyridineacetate,3-pyridineacetic acid, ethyl ester,acetic acid, 2-3-pyridyl-, ethyl ester,pyridin-3-yl-acetic acid ethyl ester,3-pyridylacetic acid ethyl ester,ethyl 2-3-pyridyl acetate,pubchem20506,ethyl-3-pyridyl-acetate |
| IUPAC Name | ethyl 2-pyridin-3-ylacetate |
| InChI Key | RPWXYCRIAGBAGY-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
Ethyl phenylcyanoacetate, 97%
CAS: 4553-07-5 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00001866 InChI Key: SXIRJEDGTAKGKU-UHFFFAOYNA-N SMILES: CCOC(=O)C(C#N)C1=CC=CC=C1
| CAS | 4553-07-5 |
|---|---|
| Molecular Weight (g/mol) | 189.21 |
| MDL Number | MFCD00001866 |
| SMILES | CCOC(=O)C(C#N)C1=CC=CC=C1 |
| InChI Key | SXIRJEDGTAKGKU-UHFFFAOYNA-N |
| Molecular Formula | C11H11NO2 |
Indoxyl acetate, 97%
CAS: 608-08-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00014561 InChI Key: JBOPQACSHPPKEP-UHFFFAOYSA-N Synonym: 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester PubChem CID: 11841 IUPAC Name: 1H-indol-3-yl acetate SMILES: CC(=O)OC1=CNC2=CC=CC=C21
| PubChem CID | 11841 |
|---|---|
| CAS | 608-08-2 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00014561 |
| SMILES | CC(=O)OC1=CNC2=CC=CC=C21 |
| Synonym | 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester |
| IUPAC Name | 1H-indol-3-yl acetate |
| InChI Key | JBOPQACSHPPKEP-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
1,3-Dibromo-5,5-dimethylhydantoin, 98%
CAS: 77-48-5 Molecular Formula: C5H6Br2N2O2 Molecular Weight (g/mol): 285.91 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) | 285.91 |
| 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 |
Butyl methacrylate, 99%, stabilized
CAS: 97-88-1 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00009444 InChI Key: SOGAXMICEFXMKE-UHFFFAOYSA-N Synonym: butyl methacrylate,n-butyl methacrylate,butylmethacrylate,2-propenoic acid, 2-methyl-, butyl ester,butyl 2-methacrylate,butylmethacrylaat,2-methyl-butylacrylat,butil metacrilato,2-methyl-butylacrylaat,2-methyl-butylacrylate PubChem CID: 7354 IUPAC Name: butyl 2-methylprop-2-enoate SMILES: CCCCOC(=O)C(C)=C
| PubChem CID | 7354 |
|---|---|
| CAS | 97-88-1 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00009444 |
| SMILES | CCCCOC(=O)C(C)=C |
| Synonym | butyl methacrylate,n-butyl methacrylate,butylmethacrylate,2-propenoic acid, 2-methyl-, butyl ester,butyl 2-methacrylate,butylmethacrylaat,2-methyl-butylacrylat,butil metacrilato,2-methyl-butylacrylaat,2-methyl-butylacrylate |
| IUPAC Name | butyl 2-methylprop-2-enoate |
| InChI Key | SOGAXMICEFXMKE-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Isobutyric anhydride, 97%
CAS: 97-72-3 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00008913 InChI Key: LSACYLWPPQLVSM-UHFFFAOYSA-N Synonym: isobutyric anhydride,isobutyric acid anhydride,propanoic acid, 2-methyl-, anhydride,2-methylpropanoic anhydride,isobutyricanhydride,isobutyryl anhydride,2-methylpropionic anhydride,unii-n85a80fjdt,n85a80fjdt,2-methylpropanoic acid anhydride PubChem CID: 7346 ChEBI: CHEBI:84261 IUPAC Name: 2-methylpropanoyl 2-methylpropanoate SMILES: CC(C)C(=O)OC(=O)C(C)C
| PubChem CID | 7346 |
|---|---|
| CAS | 97-72-3 |
| Molecular Weight (g/mol) | 158.2 |
| ChEBI | CHEBI:84261 |
| MDL Number | MFCD00008913 |
| SMILES | CC(C)C(=O)OC(=O)C(C)C |
| Synonym | isobutyric anhydride,isobutyric acid anhydride,propanoic acid, 2-methyl-, anhydride,2-methylpropanoic anhydride,isobutyricanhydride,isobutyryl anhydride,2-methylpropionic anhydride,unii-n85a80fjdt,n85a80fjdt,2-methylpropanoic acid anhydride |
| IUPAC Name | 2-methylpropanoyl 2-methylpropanoate |
| InChI Key | LSACYLWPPQLVSM-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
4-Bromophenyl isocyanate, 99%, Thermo Scientific Chemicals
CAS: 2493-02-9 Molecular Formula: C7H4BrNO Molecular Weight (g/mol): 198.02 MDL Number: MFCD00002022 InChI Key: CZQIJQFTRGDODI-UHFFFAOYSA-N
| CAS | 2493-02-9 |
|---|---|
| Molecular Weight (g/mol) | 198.02 |
| MDL Number | MFCD00002022 |
| InChI Key | CZQIJQFTRGDODI-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO |
trans-2-Ethoxyethenyl-1-boronic acid pinacol ester, 95%
CAS: 1201905-61-4 Molecular Formula: C10H19BO3 Molecular Weight (g/mol): 198.07 MDL Number: MFCD09702441,MFCD09998813 InChI Key: MRAYNLYCQPAZJN-UHFFFAOYSA-N Synonym: e-2-2-ethoxyvinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,trans-2-ethoxyvinylboronic acid pinacol ester,2-e-2-ethoxyethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-2-ethoxyvinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,e-1-ethoxyethene-2-boronic acid pinacol ester,2-2-ethoxyethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,e-1-ethoxyethene-2-ylboronic acid pinacol ester,z-2-ethoxyethenyl boronic acid, pinacol ester,trans-2-ethoxyethenyl-1-boronic acid pinacol ester PubChem CID: 21973908 IUPAC Name: 2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CCOC=CB1OC(C)(C)C(C)(C)O1
| PubChem CID | 21973908 |
|---|---|
| CAS | 1201905-61-4 |
| Molecular Weight (g/mol) | 198.07 |
| MDL Number | MFCD09702441,MFCD09998813 |
| SMILES | CCOC=CB1OC(C)(C)C(C)(C)O1 |
| Synonym | e-2-2-ethoxyvinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,trans-2-ethoxyvinylboronic acid pinacol ester,2-e-2-ethoxyethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-2-ethoxyvinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,e-1-ethoxyethene-2-boronic acid pinacol ester,2-2-ethoxyethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,e-1-ethoxyethene-2-ylboronic acid pinacol ester,z-2-ethoxyethenyl boronic acid, pinacol ester,trans-2-ethoxyethenyl-1-boronic acid pinacol ester |
| IUPAC Name | 2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | MRAYNLYCQPAZJN-UHFFFAOYSA-N |
| Molecular Formula | C10H19BO3 |
Pyromellitic 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 |
2-Fluoroisobutyric acid, 95%
CAS: 63812-15-7 Molecular Formula: C4H7FO2 Molecular Weight (g/mol): 106.096 MDL Number: MFCD03452788 InChI Key: NZDOWZQRNZLBOY-UHFFFAOYSA-N Synonym: 2-fluoroisobutyric acid,2-fluoroisobutanoic acid,2-fluoro-2-methyl-propanoic acid,2-fluoro-2-methylpropionic acid,fluoroisobutyric acid,acmc-1b6kg,2-methyl-2-fluoropropionic acid,2-fluoro-2-methyl-propionic acid,2-fluoranyl-2-methyl-propanoic acid,propanoic acid, 2-fluoro-2-methyl PubChem CID: 2782828 IUPAC Name: 2-fluoro-2-methylpropanoic acid SMILES: CC(C)(C(=O)O)F
| PubChem CID | 2782828 |
|---|---|
| CAS | 63812-15-7 |
| Molecular Weight (g/mol) | 106.096 |
| MDL Number | MFCD03452788 |
| SMILES | CC(C)(C(=O)O)F |
| Synonym | 2-fluoroisobutyric acid,2-fluoroisobutanoic acid,2-fluoro-2-methyl-propanoic acid,2-fluoro-2-methylpropionic acid,fluoroisobutyric acid,acmc-1b6kg,2-methyl-2-fluoropropionic acid,2-fluoro-2-methyl-propionic acid,2-fluoranyl-2-methyl-propanoic acid,propanoic acid, 2-fluoro-2-methyl |
| IUPAC Name | 2-fluoro-2-methylpropanoic acid |
| InChI Key | NZDOWZQRNZLBOY-UHFFFAOYSA-N |
| Molecular Formula | C4H7FO2 |
Sodium chlorodifluoroacetate, 97%
CAS: 1895-39-2 Molecular Formula: C2ClF2NaO2 Molecular Weight (g/mol): 152.457 MDL Number: MFCD00064771 InChI Key: MRTAVLDNYYEJHK-UHFFFAOYSA-M Synonym: sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium PubChem CID: 2734985 IUPAC Name: sodium;2-chloro-2,2-difluoroacetate SMILES: C(=O)(C(F)(F)Cl)[O-].[Na+]
| PubChem CID | 2734985 |
|---|---|
| CAS | 1895-39-2 |
| Molecular Weight (g/mol) | 152.457 |
| MDL Number | MFCD00064771 |
| SMILES | C(=O)(C(F)(F)Cl)[O-].[Na+] |
| Synonym | sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium |
| IUPAC Name | sodium;2-chloro-2,2-difluoroacetate |
| InChI Key | MRTAVLDNYYEJHK-UHFFFAOYSA-M |
| Molecular Formula | C2ClF2NaO2 |
N,N'-Dimethylurea, 98%
CAS: 96-31-1 Molecular Formula: C3H8N2O Molecular Weight (g/mol): 88.11 MDL Number: MFCD00008286 InChI Key: MGJKQDOBUOMPEZ-UHFFFAOYSA-N Synonym: n,n'-dimethylurea,sym-dimethylurea,urea, n,n'-dimethyl,dimethylurea,symmetric dimethylurea,urea, 1,3-dimethyl,n,n'-dimethylharnstoff,1,3-dimethyl urea,n,n'-dimethylharnstoff german,unii-wam6dr9i4x PubChem CID: 7293 ChEBI: CHEBI:80472 IUPAC Name: 1,3-dimethylurea SMILES: CNC(=O)NC
| PubChem CID | 7293 |
|---|---|
| CAS | 96-31-1 |
| Molecular Weight (g/mol) | 88.11 |
| ChEBI | CHEBI:80472 |
| MDL Number | MFCD00008286 |
| SMILES | CNC(=O)NC |
| Synonym | n,n'-dimethylurea,sym-dimethylurea,urea, n,n'-dimethyl,dimethylurea,symmetric dimethylurea,urea, 1,3-dimethyl,n,n'-dimethylharnstoff,1,3-dimethyl urea,n,n'-dimethylharnstoff german,unii-wam6dr9i4x |
| IUPAC Name | 1,3-dimethylurea |
| InChI Key | MGJKQDOBUOMPEZ-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O |
2,3-Dichlorobenzeneboronic acid, 98%
CAS: 151169-74-3 Molecular Formula: C6H5BCl2O2 Molecular Weight (g/mol): 190.81 MDL Number: MFCD01075703 InChI Key: TYIKXPOMOYDGCS-UHFFFAOYSA-N Synonym: 2,3-dichlorophenyl boronic acid,2,3-dichlorobenzeneboronic acid,2,3-dichlorophenyl boranediol,boronic acid, 2,3-dichlorophenyl,contains varying amounts of anhydride,pubchem1810,dichlorophenylboronic acid,acmc-1c0ur,dichlorobenzene boronic acid PubChem CID: 2734661 IUPAC Name: (2,3-dichlorophenyl)boronic acid SMILES: OB(O)C1=C(Cl)C(Cl)=CC=C1
| PubChem CID | 2734661 |
|---|---|
| CAS | 151169-74-3 |
| Molecular Weight (g/mol) | 190.81 |
| MDL Number | MFCD01075703 |
| SMILES | OB(O)C1=C(Cl)C(Cl)=CC=C1 |
| Synonym | 2,3-dichlorophenyl boronic acid,2,3-dichlorobenzeneboronic acid,2,3-dichlorophenyl boranediol,boronic acid, 2,3-dichlorophenyl,contains varying amounts of anhydride,pubchem1810,dichlorophenylboronic acid,acmc-1c0ur,dichlorobenzene boronic acid |
| IUPAC Name | (2,3-dichlorophenyl)boronic acid |
| InChI Key | TYIKXPOMOYDGCS-UHFFFAOYSA-N |
| Molecular Formula | C6H5BCl2O2 |