Carboxylic acids and derivatives
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Diethyl benzylidenemalonate, 98%
CAS: 5292-53-5 Molecular Formula: C14H16O4 Molecular Weight (g/mol): 248.28 MDL Number: MFCD00009149 InChI Key: VUWPIBNKJSEYIN-UHFFFAOYSA-N Synonym: diethyl benzylidenemalonate,diethyl benzalmalonate,diethyl 2-benzylidenemalonate,ethyl benzylidenemalonate,diethylbenzalmalonate,diethyl phenylmethylene malonate,malonic acid, benzylidene-, diethyl ester,diethylmalonate, benzal,benzylidenemalonic acid diethyl ester,propanedioic acid, phenylmethylene-, diethyl ester PubChem CID: 94751 IUPAC Name: diethyl 2-benzylidenepropanedioate SMILES: CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC
| PubChem CID | 94751 |
|---|---|
| CAS | 5292-53-5 |
| Molecular Weight (g/mol) | 248.28 |
| MDL Number | MFCD00009149 |
| SMILES | CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC |
| Synonym | diethyl benzylidenemalonate,diethyl benzalmalonate,diethyl 2-benzylidenemalonate,ethyl benzylidenemalonate,diethylbenzalmalonate,diethyl phenylmethylene malonate,malonic acid, benzylidene-, diethyl ester,diethylmalonate, benzal,benzylidenemalonic acid diethyl ester,propanedioic acid, phenylmethylene-, diethyl ester |
| IUPAC Name | diethyl 2-benzylidenepropanedioate |
| InChI Key | VUWPIBNKJSEYIN-UHFFFAOYSA-N |
| Molecular Formula | C14H16O4 |
α-Ketoglutaric acid disodium salt hydrate, ≥95%, MilliporeSigma™ Supelco™
MDL Number: MFCD00150702 Synonym: 2-Oxopentanedioic acid disodium salt hydrate; Sodium 2-oxoglutarate dibasic hydrate
| MDL Number | MFCD00150702 |
|---|---|
| Synonym | 2-Oxopentanedioic acid disodium salt hydrate; Sodium 2-oxoglutarate dibasic hydrate |
Ethyl 2-(bromomethyl)acrylate, 97%
CAS: 17435-72-2 Molecular Formula: C6H9BrO2 Molecular Weight (g/mol): 193.04 MDL Number: MFCD00031518 InChI Key: MTCMFVTVXAOHNQ-UHFFFAOYSA-N Synonym: ethyl 2-bromomethyl acrylate,ethyl 2-bromomethyl prop-2-enoate,2-bromomethyl acrylic acid ethyl ester,ethyl alpha-bromomethyl acrylate,2-propenoic acid, 2-bromomethyl-, ethyl ester,2-bromomethyl-acrylic acid ethyl ester,ethyl-2-bromomethylacrylate,ethyl 2-bromomethylacrylate,acmc-1bo78,ksc181c2b PubChem CID: 310620 IUPAC Name: ethyl 2-(bromomethyl)prop-2-enoate SMILES: CCOC(=O)C(=C)CBr
| PubChem CID | 310620 |
|---|---|
| CAS | 17435-72-2 |
| Molecular Weight (g/mol) | 193.04 |
| MDL Number | MFCD00031518 |
| SMILES | CCOC(=O)C(=C)CBr |
| Synonym | ethyl 2-bromomethyl acrylate,ethyl 2-bromomethyl prop-2-enoate,2-bromomethyl acrylic acid ethyl ester,ethyl alpha-bromomethyl acrylate,2-propenoic acid, 2-bromomethyl-, ethyl ester,2-bromomethyl-acrylic acid ethyl ester,ethyl-2-bromomethylacrylate,ethyl 2-bromomethylacrylate,acmc-1bo78,ksc181c2b |
| IUPAC Name | ethyl 2-(bromomethyl)prop-2-enoate |
| InChI Key | MTCMFVTVXAOHNQ-UHFFFAOYSA-N |
| Molecular Formula | C6H9BrO2 |
tert-Butylacetic Acid, 98%
CAS: 1070-83-3 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002715 InChI Key: MLMQPDHYNJCQAO-UHFFFAOYSA-N Synonym: 3,3-dimethylbutyric acid,tert-butylacetic acid,t-butylacetic acid,butanoic acid, 3,3-dimethyl,3,3-dimethyl-butanoic acid,unii-q80k0tzq55,butyric acid, 3,3-dimethyl,3,3-dimethyl-butyric acid,3,3-dimethyl-n-butyric acid,tert-butyric acid PubChem CID: 14057 ChEBI: CHEBI:38647 IUPAC Name: 3,3-dimethylbutanoic acid SMILES: CC(C)(C)CC(=O)O
| PubChem CID | 14057 |
|---|---|
| CAS | 1070-83-3 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:38647 |
| MDL Number | MFCD00002715 |
| SMILES | CC(C)(C)CC(=O)O |
| Synonym | 3,3-dimethylbutyric acid,tert-butylacetic acid,t-butylacetic acid,butanoic acid, 3,3-dimethyl,3,3-dimethyl-butanoic acid,unii-q80k0tzq55,butyric acid, 3,3-dimethyl,3,3-dimethyl-butyric acid,3,3-dimethyl-n-butyric acid,tert-butyric acid |
| IUPAC Name | 3,3-dimethylbutanoic acid |
| InChI Key | MLMQPDHYNJCQAO-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Ethyl benzimidazole-4-carboxylate, 95%, Thermo Scientific Chemicals
CAS: 167487-83-4 Molecular Formula: C10H10N2O2 Molecular Weight (g/mol): 190.20 MDL Number: MFCD18251681,MFCD20692524 InChI Key: BIROFVBTDWNLKU-UHFFFAOYSA-N Synonym: ethyl 1h-benzo d imidazole-7-carboxylate,ethyl 4-benzimidazolecarboxylate,ethyl 3h-benzo d imidazole-4-carboxylate,ethyl 1h-benzo d imidazole-4-carboxylate,1h-benzimidazole-4-carboxylic acid, ethyl ester,1h-benzimidazole-7-carboxylic acid, ethyl ester,ethyl 1h-1,3-benzodiazole-4-carboxylate,ethyl4-benzimidazolecarboxylate,1h-benzimidazole-4-carboxylicacid,ethylester,1h-benzimidazole-4-carboxylic acid ethyl ester PubChem CID: 13180239 IUPAC Name: ethyl 1H-1,3-benzodiazole-4-carboxylate SMILES: CCOC(=O)C1=C2N=CNC2=CC=C1
| PubChem CID | 13180239 |
|---|---|
| CAS | 167487-83-4 |
| Molecular Weight (g/mol) | 190.20 |
| MDL Number | MFCD18251681,MFCD20692524 |
| SMILES | CCOC(=O)C1=C2N=CNC2=CC=C1 |
| Synonym | ethyl 1h-benzo d imidazole-7-carboxylate,ethyl 4-benzimidazolecarboxylate,ethyl 3h-benzo d imidazole-4-carboxylate,ethyl 1h-benzo d imidazole-4-carboxylate,1h-benzimidazole-4-carboxylic acid, ethyl ester,1h-benzimidazole-7-carboxylic acid, ethyl ester,ethyl 1h-1,3-benzodiazole-4-carboxylate,ethyl4-benzimidazolecarboxylate,1h-benzimidazole-4-carboxylicacid,ethylester,1h-benzimidazole-4-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 1H-1,3-benzodiazole-4-carboxylate |
| InChI Key | BIROFVBTDWNLKU-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O2 |
2,2,3,4,4,4-Hexafluorobutyl methacrylate, 96%, stab.
CAS: 36405-47-7 Molecular Formula: C8H8F6O2 Molecular Weight (g/mol): 250.14 MDL Number: MFCD00042311 InChI Key: DFVPUWGVOPDJTC-UHFFFAOYSA-N Synonym: 2,2,3,4,4,4-hexafluorobutyl methacrylate,1h,1h,3h-hexafluorobutyl methacrylate,hexafluorobutyl methacrylate,methacrylic acid 2,2,3,4,4,4-hexafluorobutyl ester,2-propenoic acid, 2-methyl-, 2,2,3,4,4,4-hexafluorobutyl ester,hexafluorobutyl methacrylate polymer,hfbma,acmc-1adv6,ksc489s1j,2-propenoic acid, 2-methyl-, 2,2,3,4,4,4-hexafluorobutyl ester, homopolymer PubChem CID: 549772 IUPAC Name: 2,2,3,4,4,4-hexafluorobutyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC(C(C(F)(F)F)F)(F)F
| PubChem CID | 549772 |
|---|---|
| CAS | 36405-47-7 |
| Molecular Weight (g/mol) | 250.14 |
| MDL Number | MFCD00042311 |
| SMILES | CC(=C)C(=O)OCC(C(C(F)(F)F)F)(F)F |
| Synonym | 2,2,3,4,4,4-hexafluorobutyl methacrylate,1h,1h,3h-hexafluorobutyl methacrylate,hexafluorobutyl methacrylate,methacrylic acid 2,2,3,4,4,4-hexafluorobutyl ester,2-propenoic acid, 2-methyl-, 2,2,3,4,4,4-hexafluorobutyl ester,hexafluorobutyl methacrylate polymer,hfbma,acmc-1adv6,ksc489s1j,2-propenoic acid, 2-methyl-, 2,2,3,4,4,4-hexafluorobutyl ester, homopolymer |
| IUPAC Name | 2,2,3,4,4,4-hexafluorobutyl 2-methylprop-2-enoate |
| InChI Key | DFVPUWGVOPDJTC-UHFFFAOYSA-N |
| Molecular Formula | C8H8F6O2 |
5-Hydroxyoxindole, 96%, Thermo Scientific Chemicals
CAS: 3416-18-0 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 InChI Key: ZGTUSQAQXWSMDW-UHFFFAOYSA-N Synonym: 5-hydroxyoxindole,5-hydroxyindolin-2-one,5-hydroxy-1,3-dihydro-indol-2-one,2,3-dihydro-5-hydroxyindol-2-one,5-hydroxy-2-oxyindole,5-hydroxy-2-indolinone,5-hydroxy-1,3-dihydro-2h-indol-2-one,5-hydroxy-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-hydroxy,5-hydroxy-oxindole PubChem CID: 76955 IUPAC Name: 5-hydroxy-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)O)NC1=O
| PubChem CID | 76955 |
|---|---|
| CAS | 3416-18-0 |
| Molecular Weight (g/mol) | 149.15 |
| SMILES | C1C2=C(C=CC(=C2)O)NC1=O |
| Synonym | 5-hydroxyoxindole,5-hydroxyindolin-2-one,5-hydroxy-1,3-dihydro-indol-2-one,2,3-dihydro-5-hydroxyindol-2-one,5-hydroxy-2-oxyindole,5-hydroxy-2-indolinone,5-hydroxy-1,3-dihydro-2h-indol-2-one,5-hydroxy-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-hydroxy,5-hydroxy-oxindole |
| IUPAC Name | 5-hydroxy-1,3-dihydroindol-2-one |
| InChI Key | ZGTUSQAQXWSMDW-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2 |
Methyl m-toluate, 98%
CAS: 99-36-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008436 InChI Key: CPXCDEMFNPKOEF-UHFFFAOYSA-N Synonym: methyl m-toluate,methyl 3-toluate,benzoic acid, 3-methyl-, methyl ester,methyl m-methylbenzoate,meta-toluic acid, methyl ester,3-methylbenzoic acid methyl ester,methyl-m-methyl benzoate,m-toluic acid, methyl ester,methyl3-methylbenzoate,m-toluic acid methyl ester PubChem CID: 7435 IUPAC Name: methyl 3-methylbenzoate SMILES: CC1=CC=CC(=C1)C(=O)OC
| PubChem CID | 7435 |
|---|---|
| CAS | 99-36-5 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008436 |
| SMILES | CC1=CC=CC(=C1)C(=O)OC |
| Synonym | methyl m-toluate,methyl 3-toluate,benzoic acid, 3-methyl-, methyl ester,methyl m-methylbenzoate,meta-toluic acid, methyl ester,3-methylbenzoic acid methyl ester,methyl-m-methyl benzoate,m-toluic acid, methyl ester,methyl3-methylbenzoate,m-toluic acid methyl ester |
| IUPAC Name | methyl 3-methylbenzoate |
| InChI Key | CPXCDEMFNPKOEF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Desmosine, 99.5%, MP Biomedicals™
CAS: 11003-57-9 Molecular Formula: C24H40N5O8 Molecular Weight (g/mol): 526.61 InChI Key: VEVRNHHLCPGNDU-UHFFFAOYNA-O Synonym: desmosine,norleucine, 6-4-4-amino-4-carboxybutyl-3,5-bis 3-amino-3-carboxypropyl pyridinio,2-amino-6-3,5-bis 3-amino-4-hydroxy-4-oxobutyl-4-4-amino-5-hydroxy-5-oxopentyl pyridin-1-ium-1-yl hexanoic acid PubChem CID: 15942890 ChEBI: CHEBI:37628
| PubChem CID | 15942890 |
|---|---|
| CAS | 11003-57-9 |
| Molecular Weight (g/mol) | 526.61 |
| ChEBI | CHEBI:37628 |
| Synonym | desmosine,norleucine, 6-4-4-amino-4-carboxybutyl-3,5-bis 3-amino-3-carboxypropyl pyridinio,2-amino-6-3,5-bis 3-amino-4-hydroxy-4-oxobutyl-4-4-amino-5-hydroxy-5-oxopentyl pyridin-1-ium-1-yl hexanoic acid |
| InChI Key | VEVRNHHLCPGNDU-UHFFFAOYNA-O |
| Molecular Formula | C24H40N5O8 |
Dimethyl 5-norbornene-2,3-dicarboxylate, 94%
CAS: 5826-73-3 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00154455 InChI Key: VGQLNJWOULYVFV-UHFFFAOYNA-N Synonym: dimethyl 5-norbornene-2,3-dicarboxylate,dimethyl bicyclo 2.2.1 hept-5-ene-2,3-dicarboxylate,dimethyl carbate,dimalone,nisy,compound 3,916,methyl 3-methoxycarbonyl bicyclo 2.2.1 hept-5-ene-2-carboxylate,acmc-1ah3y,norborn-5-ene-2endo,3endo-dicarboxylic acid dimethyl ester,5-norbornene-2, dimethyl ester PubChem CID: 38295 IUPAC Name: dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate SMILES: COC(=O)C1C2CC(C=C2)C1C(=O)OC
| PubChem CID | 38295 |
|---|---|
| CAS | 5826-73-3 |
| Molecular Weight (g/mol) | 210.23 |
| MDL Number | MFCD00154455 |
| SMILES | COC(=O)C1C2CC(C=C2)C1C(=O)OC |
| Synonym | dimethyl 5-norbornene-2,3-dicarboxylate,dimethyl bicyclo 2.2.1 hept-5-ene-2,3-dicarboxylate,dimethyl carbate,dimalone,nisy,compound 3,916,methyl 3-methoxycarbonyl bicyclo 2.2.1 hept-5-ene-2-carboxylate,acmc-1ah3y,norborn-5-ene-2endo,3endo-dicarboxylic acid dimethyl ester,5-norbornene-2, dimethyl ester |
| IUPAC Name | dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate |
| InChI Key | VGQLNJWOULYVFV-UHFFFAOYNA-N |
| Molecular Formula | C11H14O4 |
Cyclohexyl methacrylate, 97%, stab. with ca 50ppm 4-methoxyphenol, Thermo Scientific Chemicals
CAS: 101-43-9 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00014292 InChI Key: OIWOHHBRDFKZNC-UHFFFAOYSA-N Synonym: cyclohexyl methacrylate,methacrylic acid, cyclohexyl ester,2-propenoic acid, 2-methyl-, cyclohexyl ester,unii-5l9uuv9t6q,2-methyl-2-propenoic acid cyclohexyl ester,5l9uuv9t6q,methacrylic acid cyclohexyl ester,ageflex chma,c-hma,cyclo hexyl methacrylate PubChem CID: 7561 IUPAC Name: cyclohexyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC1CCCCC1
| PubChem CID | 7561 |
|---|---|
| CAS | 101-43-9 |
| Molecular Weight (g/mol) | 168.24 |
| MDL Number | MFCD00014292 |
| SMILES | CC(=C)C(=O)OC1CCCCC1 |
| Synonym | cyclohexyl methacrylate,methacrylic acid, cyclohexyl ester,2-propenoic acid, 2-methyl-, cyclohexyl ester,unii-5l9uuv9t6q,2-methyl-2-propenoic acid cyclohexyl ester,5l9uuv9t6q,methacrylic acid cyclohexyl ester,ageflex chma,c-hma,cyclo hexyl methacrylate |
| IUPAC Name | cyclohexyl 2-methylprop-2-enoate |
| InChI Key | OIWOHHBRDFKZNC-UHFFFAOYSA-N |
| Molecular Formula | C10H16O2 |
Isobutyric anhydride, 97%
CAS: 97-72-3 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 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) | 158.197 |
| 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 |
Ethyl 4-aminophenylacetate, 98%
CAS: 5438-70-0 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00017569 InChI Key: CFNDVXUTYPXOPG-UHFFFAOYSA-N Synonym: ethyl 4-aminophenylacetate,ethyl 2-4-aminophenyl acetate,p-aminophenylacetic acid ethyl ester,4-aminophenylacetic acid ethyl ester,ethyl 4-aminophenyl acetate,ethyl p-aminophenylacetate,unii-5h8cfu7gnp,benzeneacetic acid, 4-amino-, ethyl ester,ethyl-4-aminophenylacetate PubChem CID: 225219 IUPAC Name: ethyl 2-(4-aminophenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)N
| PubChem CID | 225219 |
|---|---|
| CAS | 5438-70-0 |
| Molecular Weight (g/mol) | 179.219 |
| MDL Number | MFCD00017569 |
| SMILES | CCOC(=O)CC1=CC=C(C=C1)N |
| Synonym | ethyl 4-aminophenylacetate,ethyl 2-4-aminophenyl acetate,p-aminophenylacetic acid ethyl ester,4-aminophenylacetic acid ethyl ester,ethyl 4-aminophenyl acetate,ethyl p-aminophenylacetate,unii-5h8cfu7gnp,benzeneacetic acid, 4-amino-, ethyl ester,ethyl-4-aminophenylacetate |
| IUPAC Name | ethyl 2-(4-aminophenyl)acetate |
| InChI Key | CFNDVXUTYPXOPG-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
n-Butyl levulinate, 98%
CAS: 2052-15-5 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00009449 InChI Key: ISBWNEKJSSLXOD-UHFFFAOYSA-N Synonym: butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate PubChem CID: 16331 IUPAC Name: butyl 4-oxopentanoate SMILES: CCCCOC(=O)CCC(=O)C
| PubChem CID | 16331 |
|---|---|
| CAS | 2052-15-5 |
| Molecular Weight (g/mol) | 172.224 |
| MDL Number | MFCD00009449 |
| SMILES | CCCCOC(=O)CCC(=O)C |
| Synonym | butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate |
| IUPAC Name | butyl 4-oxopentanoate |
| InChI Key | ISBWNEKJSSLXOD-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
1H-Indene-3-carboxylic acid, 97%
CAS: 5020-21-3 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00086207 InChI Key: NZSCUDBGUBVDLO-UHFFFAOYSA-N Synonym: 1h-indene-3-carboxylic acid,indene-3-carboxylic acid,3-indenecarboxylic acid PubChem CID: 84261 IUPAC Name: 3H-indene-1-carboxylic acid SMILES: C1C=C(C2=CC=CC=C21)C(=O)O
| PubChem CID | 84261 |
|---|---|
| CAS | 5020-21-3 |
| Molecular Weight (g/mol) | 160.172 |
| MDL Number | MFCD00086207 |
| SMILES | C1C=C(C2=CC=CC=C21)C(=O)O |
| Synonym | 1h-indene-3-carboxylic acid,indene-3-carboxylic acid,3-indenecarboxylic acid |
| IUPAC Name | 3H-indene-1-carboxylic acid |
| InChI Key | NZSCUDBGUBVDLO-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |