Carboxylic acids and derivatives
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Methyl 2-methoxybenzoate, 98+%
CAS: 606-45-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00008423 InChI Key: PFYHAAAQPNMZHO-UHFFFAOYSA-N Synonym: methyl o-anisate,dimethyl salicylate,o-anisic acid, methyl ester,methyl o-methoxybenzoate,o-methoxy methyl benzoate,o-methoxybenzoic acid methyl ester,methylsalicylate methyl ether,2-methoxybenzoic acid methyl ester,benzoic acid, 2-methoxy-, methyl ester,2-methoxybenzoic acid, methyl ester PubChem CID: 61151 IUPAC Name: methyl 2-methoxybenzoate SMILES: COC1=CC=CC=C1C(=O)OC
| PubChem CID | 61151 |
|---|---|
| CAS | 606-45-1 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00008423 |
| SMILES | COC1=CC=CC=C1C(=O)OC |
| Synonym | methyl o-anisate,dimethyl salicylate,o-anisic acid, methyl ester,methyl o-methoxybenzoate,o-methoxy methyl benzoate,o-methoxybenzoic acid methyl ester,methylsalicylate methyl ether,2-methoxybenzoic acid methyl ester,benzoic acid, 2-methoxy-, methyl ester,2-methoxybenzoic acid, methyl ester |
| IUPAC Name | methyl 2-methoxybenzoate |
| InChI Key | PFYHAAAQPNMZHO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Propylpentanoic acid, 99%
CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O
| PubChem CID | 3121 |
|---|---|
| CAS | 99-66-1 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:39867 |
| MDL Number | MFCD00002672 |
| SMILES | CCCC(CCC)C(O)=O |
| Synonym | valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl |
| IUPAC Name | 2-propylpentanoic acid |
| InChI Key | NIJJYAXOARWZEE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Propionic acid, sodium salt, 99.0-100.5%
CAS: 137-40-6 Molecular Formula: C3H5NaO2 Molecular Weight (g/mol): 96.06 MDL Number: MFCD00002759 InChI Key: JXKPEJDQGNYQSM-UHFFFAOYSA-M Synonym: sodium propionate,sodium propanoate,propionic acid sodium salt,propanoic acid, sodium salt,napropion,ocuseptine,deketon,impedex,keenate,propiofar PubChem CID: 2723816 IUPAC Name: sodium;propanoate SMILES: CCC(=O)[O-].[Na+]
| PubChem CID | 2723816 |
|---|---|
| CAS | 137-40-6 |
| Molecular Weight (g/mol) | 96.06 |
| MDL Number | MFCD00002759 |
| SMILES | CCC(=O)[O-].[Na+] |
| Synonym | sodium propionate,sodium propanoate,propionic acid sodium salt,propanoic acid, sodium salt,napropion,ocuseptine,deketon,impedex,keenate,propiofar |
| IUPAC Name | sodium;propanoate |
| InChI Key | JXKPEJDQGNYQSM-UHFFFAOYSA-M |
| Molecular Formula | C3H5NaO2 |
Ethyl isobutyrate, 98%
CAS: 97-62-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009165 InChI Key: WDAXFOBOLVPGLV-UHFFFAOYSA-N Synonym: ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural PubChem CID: 7342 ChEBI: CHEBI:87303 IUPAC Name: ethyl 2-methylpropanoate SMILES: CCOC(=O)C(C)C
| PubChem CID | 7342 |
|---|---|
| CAS | 97-62-1 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:87303 |
| MDL Number | MFCD00009165 |
| SMILES | CCOC(=O)C(C)C |
| Synonym | ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural |
| IUPAC Name | ethyl 2-methylpropanoate |
| InChI Key | WDAXFOBOLVPGLV-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Mercaptoacetic acid, 97+%
CAS: 68-11-1 Molecular Formula: C2H4O2S Molecular Weight (g/mol): 92.112 MDL Number: MFCD00004876 InChI Key: CWERGRDVMFNCDR-UHFFFAOYSA-N Synonym: mercaptoacetic acid,thioglycolic acid,2-thioglycolic acid,acetic acid, mercapto,2-mercaptoacetic acid,sulfanylacetic acid,thiovanic acid,mercaptoessigsaeure,thioglycollic acid,glycolic acid, thio PubChem CID: 1133 ChEBI: CHEBI:30065 IUPAC Name: 2-sulfanylacetic acid SMILES: C(C(=O)O)S
| PubChem CID | 1133 |
|---|---|
| CAS | 68-11-1 |
| Molecular Weight (g/mol) | 92.112 |
| ChEBI | CHEBI:30065 |
| MDL Number | MFCD00004876 |
| SMILES | C(C(=O)O)S |
| Synonym | mercaptoacetic acid,thioglycolic acid,2-thioglycolic acid,acetic acid, mercapto,2-mercaptoacetic acid,sulfanylacetic acid,thiovanic acid,mercaptoessigsaeure,thioglycollic acid,glycolic acid, thio |
| IUPAC Name | 2-sulfanylacetic acid |
| InChI Key | CWERGRDVMFNCDR-UHFFFAOYSA-N |
| Molecular Formula | C2H4O2S |
Mannose triflate, 98%
CAS: 92051-23-5 Molecular Formula: C15H19F3O12S Molecular Weight (g/mol): 480.36 InChI Key: OIBDVHSTOUGZTJ-PEBLQZBPSA-N Synonym: tatm,mannose triflate,1,3,4,6-tetra-o-acetyl-2-o-trifluoromethanesulfonyl-beta-d-mannopyranose,1,3,4,6-tetra-o-acetyl-2-o-trifluoromethanesulfonyl-b-d-mannopyranose,unii-0ki8ffq6tt,0ki8ffq6tt,beta-d-mannopyranose 1,3,4,6-tetra-o-acetate 2-o-trifluoromethanesulfonate,2r,3r,4s,5s,6s-3,4,6-tris acetyloxy-5-trifluoromethanesulfonyloxy oxan-2-yl methyl acetate,mannose trilfate PubChem CID: 11113597 IUPAC Name: [(2R,3R,4S,5S,6S)-3,4,6-triacetyloxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(F)(F)F)OC(=O)C)OC(=O)C
| PubChem CID | 11113597 |
|---|---|
| CAS | 92051-23-5 |
| Molecular Weight (g/mol) | 480.36 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(F)(F)F)OC(=O)C)OC(=O)C |
| Synonym | tatm,mannose triflate,1,3,4,6-tetra-o-acetyl-2-o-trifluoromethanesulfonyl-beta-d-mannopyranose,1,3,4,6-tetra-o-acetyl-2-o-trifluoromethanesulfonyl-b-d-mannopyranose,unii-0ki8ffq6tt,0ki8ffq6tt,beta-d-mannopyranose 1,3,4,6-tetra-o-acetate 2-o-trifluoromethanesulfonate,2r,3r,4s,5s,6s-3,4,6-tris acetyloxy-5-trifluoromethanesulfonyloxy oxan-2-yl methyl acetate,mannose trilfate |
| IUPAC Name | [(2R,3R,4S,5S,6S)-3,4,6-triacetyloxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate |
| InChI Key | OIBDVHSTOUGZTJ-PEBLQZBPSA-N |
| Molecular Formula | C15H19F3O12S |
Thermo Scientific Chemicals L-Ascorbic acid sodium salt, 99%
CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 MDL Number: MFCD00082340 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: sodium ascorbate,l-ascorbic acid sodium salt,sodium l-ascorbate,vitamin c sodium,ascorbicin,sodascorbate,cebitate,aminofenitrooxon,natrii ascorbas,monosodium l-ascorbate PubChem CID: 131674100 IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| PubChem CID | 131674100 |
|---|---|
| CAS | 134-03-2 |
| Molecular Weight (g/mol) | 198.11 |
| MDL Number | MFCD00082340 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| Synonym | sodium ascorbate,l-ascorbic acid sodium salt,sodium l-ascorbate,vitamin c sodium,ascorbicin,sodascorbate,cebitate,aminofenitrooxon,natrii ascorbas,monosodium l-ascorbate |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
Ethylenediaminetetraacetic Acid Dipotassium Salt Dihydrate, 99%
CAS: 25102-12-9 Molecular Formula: C10H18K2N2O10 Molecular Weight (g/mol): 404.455 MDL Number: MFCD00150036 InChI Key: JFROQFOCFOKDKU-UHFFFAOYSA-L Synonym: ethylenediaminetetraacetic acid dipotassium salt dihydrate,dipotassium dihydrogen ethylenediaminetetraacetate dihydrate,potassium 2,2'-2-bis carboxymethyl amino ethyl azanediyl diacetate dihydrate,edta dipotassium salt dihydrate,edta dipotassium salt,ethylenediaminetetraacetic acid,dipotassium salt dihydrate,potassium ethylenediaminetetraacetate dibasic,dipotassium ethylenediaminetetraacetate dihydrate,ethylenedinitrilo tetraacetic acid dipotassium salt,acmc-209ggx PubChem CID: 53486451 IUPAC Name: dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[K+].[K+]
| PubChem CID | 53486451 |
|---|---|
| CAS | 25102-12-9 |
| Molecular Weight (g/mol) | 404.455 |
| MDL Number | MFCD00150036 |
| SMILES | C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[K+].[K+] |
| Synonym | ethylenediaminetetraacetic acid dipotassium salt dihydrate,dipotassium dihydrogen ethylenediaminetetraacetate dihydrate,potassium 2,2'-2-bis carboxymethyl amino ethyl azanediyl diacetate dihydrate,edta dipotassium salt dihydrate,edta dipotassium salt,ethylenediaminetetraacetic acid,dipotassium salt dihydrate,potassium ethylenediaminetetraacetate dibasic,dipotassium ethylenediaminetetraacetate dihydrate,ethylenedinitrilo tetraacetic acid dipotassium salt,acmc-209ggx |
| IUPAC Name | dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate |
| InChI Key | JFROQFOCFOKDKU-UHFFFAOYSA-L |
| Molecular Formula | C10H18K2N2O10 |
Tri-n-butyl citrate, 99%
CAS: 77-94-1 Molecular Formula: C18H32O7 Molecular Weight (g/mol): 360.45 MDL Number: MFCD00027217 InChI Key: ZFOZVQLOBQUTQQ-UHFFFAOYSA-N Synonym: tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester PubChem CID: 6507 IUPAC Name: tributyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
| PubChem CID | 6507 |
|---|---|
| CAS | 77-94-1 |
| Molecular Weight (g/mol) | 360.45 |
| MDL Number | MFCD00027217 |
| SMILES | CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC |
| Synonym | tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester |
| IUPAC Name | tributyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | ZFOZVQLOBQUTQQ-UHFFFAOYSA-N |
| Molecular Formula | C18H32O7 |
4'-Chloroacetanilide, 97%
CAS: 539-03-7 MDL Number: MFCD00000612 InChI Key: GGUOCFNAWIODMF-UHFFFAOYSA-N Synonym: 4'-chloroacetanilide,n-4-chlorophenyl acetamide,4-chloroacetanilide,p-chloroacetanilide,n-acetyl-p-chloroaniline,acetamide, n-4-chlorophenyl,acetanilide, 4'-chloro,acetic-4-chloroanilide,n-p-chlorophenyl acetamide,n-4-chloro-phenyl-acetamide PubChem CID: 10871 ChEBI: CHEBI:116915 IUPAC Name: N-(4-chlorophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)Cl
| PubChem CID | 10871 |
|---|---|
| CAS | 539-03-7 |
| ChEBI | CHEBI:116915 |
| MDL Number | MFCD00000612 |
| SMILES | CC(=O)NC1=CC=C(C=C1)Cl |
| Synonym | 4'-chloroacetanilide,n-4-chlorophenyl acetamide,4-chloroacetanilide,p-chloroacetanilide,n-acetyl-p-chloroaniline,acetamide, n-4-chlorophenyl,acetanilide, 4'-chloro,acetic-4-chloroanilide,n-p-chlorophenyl acetamide,n-4-chloro-phenyl-acetamide |
| IUPAC Name | N-(4-chlorophenyl)acetamide |
| InChI Key | GGUOCFNAWIODMF-UHFFFAOYSA-N |
Methyl thioglycolate, 98%
CAS: 2365-48-2 Molecular Formula: C3H6O2S Molecular Weight (g/mol): 106.14 MDL Number: MFCD00004873 InChI Key: MKIJJIMOAABWGF-UHFFFAOYSA-N Synonym: methyl thioglycolate,methyl mercaptoacetate,methyl 2-mercaptoacetate,methylthioglycolate,thioglycolic acid methyl ester,acetic acid, mercapto-, methyl ester,methanethiol, methoxy,usaf ek-7119,thioglykolsaeure-methylester,unii-o1608la9el PubChem CID: 16907 IUPAC Name: methyl 2-sulfanylacetate SMILES: COC(=O)CS
| PubChem CID | 16907 |
|---|---|
| CAS | 2365-48-2 |
| Molecular Weight (g/mol) | 106.14 |
| MDL Number | MFCD00004873 |
| SMILES | COC(=O)CS |
| Synonym | methyl thioglycolate,methyl mercaptoacetate,methyl 2-mercaptoacetate,methylthioglycolate,thioglycolic acid methyl ester,acetic acid, mercapto-, methyl ester,methanethiol, methoxy,usaf ek-7119,thioglykolsaeure-methylester,unii-o1608la9el |
| IUPAC Name | methyl 2-sulfanylacetate |
| InChI Key | MKIJJIMOAABWGF-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2S |
Ethyl mercaptoacetate, 98+%
CAS: 623-51-8 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00004874 InChI Key: PVBRSNZAOAJRKO-UHFFFAOYSA-N Synonym: ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester PubChem CID: 12185 IUPAC Name: ethyl 2-sulfanylacetate SMILES: CCOC(=O)CS
| PubChem CID | 12185 |
|---|---|
| CAS | 623-51-8 |
| Molecular Weight (g/mol) | 120.166 |
| MDL Number | MFCD00004874 |
| SMILES | CCOC(=O)CS |
| Synonym | ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester |
| IUPAC Name | ethyl 2-sulfanylacetate |
| InChI Key | PVBRSNZAOAJRKO-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2S |
Methyl isobutyrate, 99%
CAS: 547-63-7 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00008914 InChI Key: BHIWKHZACMWKOJ-UHFFFAOYSA-N Synonym: methyl isobutyrate,methyl 2-methylpropionate,methyl isobutanoate,propanoic acid, 2-methyl-, methyl ester,isobutyric acid, methyl ester,methylisobutyrate,isobutyric acid methyl ester,poly d-lactide,methyl isobutyrate natural,methylester kyseliny isomaselne PubChem CID: 11039 ChEBI: CHEBI:73689 IUPAC Name: methyl 2-methylpropanoate SMILES: CC(C)C(=O)OC
| PubChem CID | 11039 |
|---|---|
| CAS | 547-63-7 |
| Molecular Weight (g/mol) | 102.13 |
| ChEBI | CHEBI:73689 |
| MDL Number | MFCD00008914 |
| SMILES | CC(C)C(=O)OC |
| Synonym | methyl isobutyrate,methyl 2-methylpropionate,methyl isobutanoate,propanoic acid, 2-methyl-, methyl ester,isobutyric acid, methyl ester,methylisobutyrate,isobutyric acid methyl ester,poly d-lactide,methyl isobutyrate natural,methylester kyseliny isomaselne |
| IUPAC Name | methyl 2-methylpropanoate |
| InChI Key | BHIWKHZACMWKOJ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Methyl Cinnamate 99.0+%, TCI America™
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CAS: 103-26-4 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00008458 InChI Key: CCRCUPLGCSFEDV-BQYQJAHWSA-N Synonym: methyl cinnamate,methyl trans-cinnamate,methyl e-cinnamate,cinnamic acid methyl ester,methyl cinnamylate,methyl 3-phenylacrylate,methyl e-3-phenylprop-2-enoate,methyl 3-phenylpropenoate,trans-cinnamic acid methyl ester,trans-methyl cinnamate PubChem CID: 637520 ChEBI: CHEBI:6857 IUPAC Name: methyl (E)-3-phenylprop-2-enoate SMILES: COC(=O)C=CC1=CC=CC=C1
| PubChem CID | 637520 |
|---|---|
| CAS | 103-26-4 |
| Molecular Weight (g/mol) | 162.188 |
| ChEBI | CHEBI:6857 |
| MDL Number | MFCD00008458 |
| SMILES | COC(=O)C=CC1=CC=CC=C1 |
| Synonym | methyl cinnamate,methyl trans-cinnamate,methyl e-cinnamate,cinnamic acid methyl ester,methyl cinnamylate,methyl 3-phenylacrylate,methyl e-3-phenylprop-2-enoate,methyl 3-phenylpropenoate,trans-cinnamic acid methyl ester,trans-methyl cinnamate |
| IUPAC Name | methyl (E)-3-phenylprop-2-enoate |
| InChI Key | CCRCUPLGCSFEDV-BQYQJAHWSA-N |
| Molecular Formula | C10H10O2 |
2-Iodoacetamide 98.0+%, TCI America™
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CAS: 144-48-9 Molecular Formula: C2H4INO Molecular Weight (g/mol): 184.964 MDL Number: MFCD00008028 InChI Key: PGLTVOMIXTUURA-UHFFFAOYSA-N Synonym: iodoacetamide,monoiodoacetamide,surauto,acetamide, 2-iodo,2-iodo-acetamide,usaf d-1,alpha-iodoacetamide,ccris 7710,unii-zrh8m27s79,n-3-methoxy-4-butoxybenzyl thiobarbituric acid PubChem CID: 3727 IUPAC Name: 2-iodoacetamide SMILES: C(C(=O)N)I
| PubChem CID | 3727 |
|---|---|
| CAS | 144-48-9 |
| Molecular Weight (g/mol) | 184.964 |
| MDL Number | MFCD00008028 |
| SMILES | C(C(=O)N)I |
| Synonym | iodoacetamide,monoiodoacetamide,surauto,acetamide, 2-iodo,2-iodo-acetamide,usaf d-1,alpha-iodoacetamide,ccris 7710,unii-zrh8m27s79,n-3-methoxy-4-butoxybenzyl thiobarbituric acid |
| IUPAC Name | 2-iodoacetamide |
| InChI Key | PGLTVOMIXTUURA-UHFFFAOYSA-N |
| Molecular Formula | C2H4INO |