Carboxylic acids and derivatives
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Ethyl 2,4-dioxo-5-methylhexanoate, 95%
CAS: 64195-85-3 Molecular Formula: C9H14O4 Molecular Weight (g/mol): 186.21 MDL Number: MFCD07323638 InChI Key: HBJPUWYQVWIKSD-UHFFFAOYSA-N Synonym: ethyl5-methyl-2,4-dioxohexanoate,ethyl 2,4-dioxo-5-methylhexanoate,5-methyl-2,4-dioxohexanoic acid ethyl ester,hexanoic acid,5-methyl-2,4-dioxo-, ethyl ester,5-methyl-2,4-dioxo-hexanoic acid ethyl ester,acmc-1bc7v,ethyl-2,4-dioxo-5-methylhexanoate,ethyl 5-methyl-2,4-dioxo-hexanoate,ethyl 5-methyl-2,4-bis oxidanylidene hexanoate PubChem CID: 3017501 IUPAC Name: ethyl 5-methyl-2,4-dioxohexanoate SMILES: CCOC(=O)C(=O)CC(=O)C(C)C
| PubChem CID | 3017501 |
|---|---|
| CAS | 64195-85-3 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD07323638 |
| SMILES | CCOC(=O)C(=O)CC(=O)C(C)C |
| Synonym | ethyl5-methyl-2,4-dioxohexanoate,ethyl 2,4-dioxo-5-methylhexanoate,5-methyl-2,4-dioxohexanoic acid ethyl ester,hexanoic acid,5-methyl-2,4-dioxo-, ethyl ester,5-methyl-2,4-dioxo-hexanoic acid ethyl ester,acmc-1bc7v,ethyl-2,4-dioxo-5-methylhexanoate,ethyl 5-methyl-2,4-dioxo-hexanoate,ethyl 5-methyl-2,4-bis oxidanylidene hexanoate |
| IUPAC Name | ethyl 5-methyl-2,4-dioxohexanoate |
| InChI Key | HBJPUWYQVWIKSD-UHFFFAOYSA-N |
| Molecular Formula | C9H14O4 |
N-(Bromomethyl)phthalimide, 95%
CAS: 5332-26-3 Molecular Formula: C9H6BrNO2 Molecular Weight (g/mol): 240.056 MDL Number: MFCD00005897 InChI Key: UUSLLECLCKTJQF-UHFFFAOYSA-N Synonym: n-bromomethyl phthalimide,2-bromomethyl isoindoline-1,3-dione,n-bromomethylphthalimide,phthalimide, n-bromomethyl,phthalimidomethyl bromide,1h-isoindole-1,3 2h-dione, 2-bromomethyl,2-bromomethyl isoindole-1,3-dione,2-bromomethyl-1h-isoindole-1,3 2h-dione,2-bromomethyl-2,3-dihydro-1h-isoindole-1,3-dione,acmc-1awzk PubChem CID: 79244 IUPAC Name: 2-(bromomethyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CBr
| PubChem CID | 79244 |
|---|---|
| CAS | 5332-26-3 |
| Molecular Weight (g/mol) | 240.056 |
| MDL Number | MFCD00005897 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CBr |
| Synonym | n-bromomethyl phthalimide,2-bromomethyl isoindoline-1,3-dione,n-bromomethylphthalimide,phthalimide, n-bromomethyl,phthalimidomethyl bromide,1h-isoindole-1,3 2h-dione, 2-bromomethyl,2-bromomethyl isoindole-1,3-dione,2-bromomethyl-1h-isoindole-1,3 2h-dione,2-bromomethyl-2,3-dihydro-1h-isoindole-1,3-dione,acmc-1awzk |
| IUPAC Name | 2-(bromomethyl)isoindole-1,3-dione |
| InChI Key | UUSLLECLCKTJQF-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO2 |
Ethyl oleate, tech. 70%
CAS: 111-62-6 Molecular Formula: C20H38O2 Molecular Weight (g/mol): 310.522 MDL Number: MFCD00009579 InChI Key: LVGKNOAMLMIIKO-QXMHVHEDSA-N Synonym: ethyl oleate,ethyl cis-9-octadecenoate,oleic acid, ethyl ester,oleic acid ethyl ester,9-octadecenoic acid z-, ethyl ester,ethyl oleate nf,ethyl z-octadec-9-enoate,ethyl oleate natural,fema no. 2450 PubChem CID: 5363269 ChEBI: CHEBI:84940 IUPAC Name: ethyl (Z)-octadec-9-enoate SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC
| PubChem CID | 5363269 |
|---|---|
| CAS | 111-62-6 |
| Molecular Weight (g/mol) | 310.522 |
| ChEBI | CHEBI:84940 |
| MDL Number | MFCD00009579 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC |
| Synonym | ethyl oleate,ethyl cis-9-octadecenoate,oleic acid, ethyl ester,oleic acid ethyl ester,9-octadecenoic acid z-, ethyl ester,ethyl oleate nf,ethyl z-octadec-9-enoate,ethyl oleate natural,fema no. 2450 |
| IUPAC Name | ethyl (Z)-octadec-9-enoate |
| InChI Key | LVGKNOAMLMIIKO-QXMHVHEDSA-N |
| Molecular Formula | C20H38O2 |
3,3-Dimethylallyl acetate, 98%, stab. with 0.1% alpha tocopherol, Thermo Scientific Chemicals
CAS: 1191-16-8 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00036569 InChI Key: XXIKYCPRDXIMQM-UHFFFAOYSA-N Synonym: prenyl acetate,3,3-dimethylallyl acetate,3-methyl-2-butenyl acetate,isopent-2-enyl acetate,3-methylbut-2-en-1-yl acetate,dimethylallyl acetate,2-buten-1-ol, 3-methyl-, acetate,3-methyl-2-buten-1-ol, acetate,unii-i7kov03hgs,isopentenyl acetate PubChem CID: 14489 IUPAC Name: 3-methylbut-2-enyl acetate SMILES: CC(C)=CCOC(C)=O
| PubChem CID | 14489 |
|---|---|
| CAS | 1191-16-8 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00036569 |
| SMILES | CC(C)=CCOC(C)=O |
| Synonym | prenyl acetate,3,3-dimethylallyl acetate,3-methyl-2-butenyl acetate,isopent-2-enyl acetate,3-methylbut-2-en-1-yl acetate,dimethylallyl acetate,2-buten-1-ol, 3-methyl-, acetate,3-methyl-2-buten-1-ol, acetate,unii-i7kov03hgs,isopentenyl acetate |
| IUPAC Name | 3-methylbut-2-enyl acetate |
| InChI Key | XXIKYCPRDXIMQM-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
BAPTA, 97%
CAS: 85233-19-8 Molecular Formula: C22H24N2O10 Molecular Weight (g/mol): 476.44 MDL Number: MFCD00036255 InChI Key: FTEDXVNDVHYDQW-UHFFFAOYSA-N Synonym: bapta,bapeta,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,ca ii-bapta,1,2-bis-2-aminophenoxy ethane n,n,n',n'-tetraacetic acid,unii-k22ddw77c0,1,2-bis o-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,bapta tetrasodium salt hydrate,glycine, n,n'-1,2-ethanediylbis oxy-2,1-phenylene bis n-carboxymethyl,2,2',2,2'-ethane-1,2-diylbis oxy-2,1-phenylenenitrilo tetraacetic acid PubChem CID: 104751 ChEBI: CHEBI:60888 IUPAC Name: 2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid SMILES: OC(=O)CN(CC(O)=O)C1=CC=CC=C1OCCOC1=CC=CC=C1N(CC(O)=O)CC(O)=O
| PubChem CID | 104751 |
|---|---|
| CAS | 85233-19-8 |
| Molecular Weight (g/mol) | 476.44 |
| ChEBI | CHEBI:60888 |
| MDL Number | MFCD00036255 |
| SMILES | OC(=O)CN(CC(O)=O)C1=CC=CC=C1OCCOC1=CC=CC=C1N(CC(O)=O)CC(O)=O |
| Synonym | bapta,bapeta,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,ca ii-bapta,1,2-bis-2-aminophenoxy ethane n,n,n',n'-tetraacetic acid,unii-k22ddw77c0,1,2-bis o-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,bapta tetrasodium salt hydrate,glycine, n,n'-1,2-ethanediylbis oxy-2,1-phenylene bis n-carboxymethyl,2,2',2,2'-ethane-1,2-diylbis oxy-2,1-phenylenenitrilo tetraacetic acid |
| IUPAC Name | 2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid |
| InChI Key | FTEDXVNDVHYDQW-UHFFFAOYSA-N |
| Molecular Formula | C22H24N2O10 |
Citric acid, monosodium salt, 99%, for analysis, anhydrous
CAS: 18996-35-5 Molecular Formula: C6H7NaO7 Molecular Weight (g/mol): 214.11 InChI Key: SLWOXBQHKZPUNY-UHFFFAOYSA-N Synonym: bicitra,pneucid,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt,sodium dihydrogen citrate anhydrous,citric acid, sodium salt,citric acid sodium,sodium 2-hydroxy-1,2,3-propanetricarboxylate,2-hydroxypropane-1,2,3-tricarboxylic acid; sodium,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt 1:? PubChem CID: 131675399 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;molecular hydrogen;sodium SMILES: [HH].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na]
| PubChem CID | 131675399 |
|---|---|
| CAS | 18996-35-5 |
| Molecular Weight (g/mol) | 214.11 |
| SMILES | [HH].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na] |
| Synonym | bicitra,pneucid,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt,sodium dihydrogen citrate anhydrous,citric acid, sodium salt,citric acid sodium,sodium 2-hydroxy-1,2,3-propanetricarboxylate,2-hydroxypropane-1,2,3-tricarboxylic acid; sodium,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt 1:? |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;molecular hydrogen;sodium |
| InChI Key | SLWOXBQHKZPUNY-UHFFFAOYSA-N |
| Molecular Formula | C6H7NaO7 |
Spectrum Chemical Manufacturing Corporation Methyl Benzoate, 98%, Spectrum™ Chemical
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CAS: 93-58-3
| CAS | 93-58-3 |
|---|
Methyl dimethoxyacetate, 98%
CAS: 89-91-8 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00008484 InChI Key: NZTCVGHPDWAALP-UHFFFAOYSA-N Synonym: methyl dimethoxyacetate,acetic acid, dimethoxy-, methyl ester,dimethoxyacetic acid methyl ester,glyoxylic acid methyl ester dimethyl acetal,acetic acid, 2,2-dimethoxy-, methyl ester,glyoxylic acid, methyl ester, 2-dimethyl acetal,zlchem 519,acmc-209r3k,ksc490c4f,methyl 2,2-dimethoxyethanoate PubChem CID: 66647 IUPAC Name: methyl 2,2-dimethoxyacetate SMILES: COC(C(=O)OC)OC
| PubChem CID | 66647 |
|---|---|
| CAS | 89-91-8 |
| Molecular Weight (g/mol) | 134.13 |
| MDL Number | MFCD00008484 |
| SMILES | COC(C(=O)OC)OC |
| Synonym | methyl dimethoxyacetate,acetic acid, dimethoxy-, methyl ester,dimethoxyacetic acid methyl ester,glyoxylic acid methyl ester dimethyl acetal,acetic acid, 2,2-dimethoxy-, methyl ester,glyoxylic acid, methyl ester, 2-dimethyl acetal,zlchem 519,acmc-209r3k,ksc490c4f,methyl 2,2-dimethoxyethanoate |
| IUPAC Name | methyl 2,2-dimethoxyacetate |
| InChI Key | NZTCVGHPDWAALP-UHFFFAOYSA-N |
| Molecular Formula | C5H10O4 |
tert-Butyl propiolate, 98%
CAS: 13831-03-3 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00060100 InChI Key: XGTPDIIFEPTULX-UHFFFAOYSA-N Synonym: tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # PubChem CID: 543038 IUPAC Name: tert-butyl prop-2-ynoate SMILES: CC(C)(C)OC(=O)C#C
| PubChem CID | 543038 |
|---|---|
| CAS | 13831-03-3 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD00060100 |
| SMILES | CC(C)(C)OC(=O)C#C |
| Synonym | tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # |
| IUPAC Name | tert-butyl prop-2-ynoate |
| InChI Key | XGTPDIIFEPTULX-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
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 |
Methyl dichloroacetate, 99%
CAS: 116-54-1 Molecular Formula: C3H4Cl2O2 Molecular Weight (g/mol): 142.97 MDL Number: MFCD00000843 InChI Key: HKMLRUAPIDAGIE-UHFFFAOYSA-N Synonym: methyl dichloroacetate,dichloroacetic acid methyl ester,acetic acid, dichloro-, methyl ester,ccris 7740,acetic acid, 2,2-dichloro-, methyl ester,methyldichloroethanoate,acmc-1brpm,dichloroacetic acid methyl,methyl2,2-dichloroacetate,wln: gygvo1 PubChem CID: 8315 IUPAC Name: methyl 2,2-dichloroacetate SMILES: COC(=O)C(Cl)Cl
| PubChem CID | 8315 |
|---|---|
| CAS | 116-54-1 |
| Molecular Weight (g/mol) | 142.97 |
| MDL Number | MFCD00000843 |
| SMILES | COC(=O)C(Cl)Cl |
| Synonym | methyl dichloroacetate,dichloroacetic acid methyl ester,acetic acid, dichloro-, methyl ester,ccris 7740,acetic acid, 2,2-dichloro-, methyl ester,methyldichloroethanoate,acmc-1brpm,dichloroacetic acid methyl,methyl2,2-dichloroacetate,wln: gygvo1 |
| IUPAC Name | methyl 2,2-dichloroacetate |
| InChI Key | HKMLRUAPIDAGIE-UHFFFAOYSA-N |
| Molecular Formula | C3H4Cl2O2 |
Methyl 3,3-dimethoxypropionate, 99%
CAS: 7424-91-1 Molecular Formula: C6H12O4 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00010650 InChI Key: SMCVPMKCDDNUCQ-UHFFFAOYSA-N Synonym: methyl 3,3-dimethoxypropionate,3,3-dimethoxypropionic acid methyl ester,methyl3,3-dimethoxypropionate,propanoic acid, 3,3-dimethoxy-, methyl ester,zlchem 282,pubchem20228,acmc-1bdjk,ksc490c4j,methyl 3,3-dimethoxy-propanoate,smcvpmkcddnucq-uhfffaoysa PubChem CID: 81924 IUPAC Name: methyl 3,3-dimethoxypropanoate SMILES: COC(CC(=O)OC)OC
| PubChem CID | 81924 |
|---|---|
| CAS | 7424-91-1 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00010650 |
| SMILES | COC(CC(=O)OC)OC |
| Synonym | methyl 3,3-dimethoxypropionate,3,3-dimethoxypropionic acid methyl ester,methyl3,3-dimethoxypropionate,propanoic acid, 3,3-dimethoxy-, methyl ester,zlchem 282,pubchem20228,acmc-1bdjk,ksc490c4j,methyl 3,3-dimethoxy-propanoate,smcvpmkcddnucq-uhfffaoysa |
| IUPAC Name | methyl 3,3-dimethoxypropanoate |
| InChI Key | SMCVPMKCDDNUCQ-UHFFFAOYSA-N |
| Molecular Formula | C6H12O4 |
4'-Bromoacetanilide, 98%
CAS: 103-88-8 Molecular Formula: C8H8BrNO Molecular Weight (g/mol): 214.06 MDL Number: MFCD00000092 InChI Key: MSLICLMCQYQNPK-UHFFFAOYSA-N Synonym: 4'-bromoacetanilide,n-4-bromophenyl acetamide,p-bromoacetanilide,4-bromoacetanilide,bromoanilide,acetamide, n-4-bromophenyl,antisepsin,bromoantifebrin,asepsin,p-bromo-n-acetanilide PubChem CID: 7683 IUPAC Name: N-(4-bromophenyl)acetamide SMILES: CC(=O)NC1=CC=C(Br)C=C1
| PubChem CID | 7683 |
|---|---|
| CAS | 103-88-8 |
| Molecular Weight (g/mol) | 214.06 |
| MDL Number | MFCD00000092 |
| SMILES | CC(=O)NC1=CC=C(Br)C=C1 |
| Synonym | 4'-bromoacetanilide,n-4-bromophenyl acetamide,p-bromoacetanilide,4-bromoacetanilide,bromoanilide,acetamide, n-4-bromophenyl,antisepsin,bromoantifebrin,asepsin,p-bromo-n-acetanilide |
| IUPAC Name | N-(4-bromophenyl)acetamide |
| InChI Key | MSLICLMCQYQNPK-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO |
1,5,5-Trimethylhydantoin, 98%
CAS: 6851-81-6 Molecular Formula: C6H10N2O2 Molecular Weight (g/mol): 142.158 MDL Number: MFCD00040439 InChI Key: ZNYIPTYJBRGSSL-UHFFFAOYSA-N Synonym: 1,5,5-trimethylhydantoin,3,4,4-trimethyl-2,5-dioxoimidazolidine,1,5,5-trimethyl-imidazolidine-2,4-dione,1,5,5-trimethyl-1,3-diazolidine-2,4-dione,hydantoin, 1,5,5-trimethyl,2,4-imidazolidinedione, 1,5,5-trimethyl,1,5,5 trimethylhydantoin,acmc-209o3u,1,5,5-trimethyl-hydantoin,1,5,5-trimethyl hydantoin PubChem CID: 81295 IUPAC Name: 1,5,5-trimethylimidazolidine-2,4-dione SMILES: CC1(C(=O)NC(=O)N1C)C
| PubChem CID | 81295 |
|---|---|
| CAS | 6851-81-6 |
| Molecular Weight (g/mol) | 142.158 |
| MDL Number | MFCD00040439 |
| SMILES | CC1(C(=O)NC(=O)N1C)C |
| Synonym | 1,5,5-trimethylhydantoin,3,4,4-trimethyl-2,5-dioxoimidazolidine,1,5,5-trimethyl-imidazolidine-2,4-dione,1,5,5-trimethyl-1,3-diazolidine-2,4-dione,hydantoin, 1,5,5-trimethyl,2,4-imidazolidinedione, 1,5,5-trimethyl,1,5,5 trimethylhydantoin,acmc-209o3u,1,5,5-trimethyl-hydantoin,1,5,5-trimethyl hydantoin |
| IUPAC Name | 1,5,5-trimethylimidazolidine-2,4-dione |
| InChI Key | ZNYIPTYJBRGSSL-UHFFFAOYSA-N |
| Molecular Formula | C6H10N2O2 |
Valeric acid hydrazide, 95%
CAS: 38291-82-6 Molecular Formula: C5H12N2O Molecular Weight (g/mol): 116.164 MDL Number: MFCD00025137 InChI Key: PJBQYCIDGYKEMN-UHFFFAOYSA-N Synonym: valeric acid hydrazide,pentanohydrazide,valerohydrazide,pentanoic acid, hydrazide,pentanoic acid hydrazide,valerylhydrazine,pentanoic acid,hydrazide,acmc-1afhr PubChem CID: 93202 IUPAC Name: pentanehydrazide SMILES: CCCCC(=O)NN
| PubChem CID | 93202 |
|---|---|
| CAS | 38291-82-6 |
| Molecular Weight (g/mol) | 116.164 |
| MDL Number | MFCD00025137 |
| SMILES | CCCCC(=O)NN |
| Synonym | valeric acid hydrazide,pentanohydrazide,valerohydrazide,pentanoic acid, hydrazide,pentanoic acid hydrazide,valerylhydrazine,pentanoic acid,hydrazide,acmc-1afhr |
| IUPAC Name | pentanehydrazide |
| InChI Key | PJBQYCIDGYKEMN-UHFFFAOYSA-N |
| Molecular Formula | C5H12N2O |