Organic acids and derivatives
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2-(2-Thienyl)ethyl p-Toluenesulfonate 95.0+%, TCI America™
CAS: 40412-06-4 Molecular Formula: C13H14O3S2 Molecular Weight (g/mol): 282.37 MDL Number: MFCD05150366 InChI Key: HLPRKWVEMYDPAU-UHFFFAOYSA-N Synonym: p-Toluenesulfonic Acid 2-(2-Thienyl)ethyl Ester PubChem CID: 3682034 IUPAC Name: 2-(thiophen-2-yl)ethyl 4-methylbenzene-1-sulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC1=CC=CS1
| PubChem CID | 3682034 |
|---|---|
| CAS | 40412-06-4 |
| Molecular Weight (g/mol) | 282.37 |
| MDL Number | MFCD05150366 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC1=CC=CS1 |
| Synonym | p-Toluenesulfonic Acid 2-(2-Thienyl)ethyl Ester |
| IUPAC Name | 2-(thiophen-2-yl)ethyl 4-methylbenzene-1-sulfonate |
| InChI Key | HLPRKWVEMYDPAU-UHFFFAOYSA-N |
| Molecular Formula | C13H14O3S2 |
Butyl Crotonate 97.0+%, TCI America™
CAS: 7299-91-4 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00053794 InChI Key: GWCTUKHUBWMAMI-GQCTYLIASA-N Synonym: Crotonic Acid Butyl Ester PubChem CID: 5366039 IUPAC Name: butyl (2E)-but-2-enoate SMILES: CCCCOC(=O)\C=C\C
| PubChem CID | 5366039 |
|---|---|
| CAS | 7299-91-4 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00053794 |
| SMILES | CCCCOC(=O)\C=C\C |
| Synonym | Crotonic Acid Butyl Ester |
| IUPAC Name | butyl (2E)-but-2-enoate |
| InChI Key | GWCTUKHUBWMAMI-GQCTYLIASA-N |
| Molecular Formula | C8H14O2 |
Methyl Phenylpropiolate 98.0+%, TCI America™
CAS: 4891-38-7 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00041685 InChI Key: JFGWPXKGINUNDH-UHFFFAOYSA-N Synonym: methyl phenylpropiolate,methyl 3-phenylpropiolate,phenylpropynoic acid methyl ester,2-propynoic acid, 3-phenyl-, methyl ester,methyl phenylpropargylate,phenylpropiolic acid methyl ester,propiolic acid, 3-phenyl-, methyl ester,methylphenylpropalate,propiolic acid, phenyl-, methyl ester,methyl phenylpropynoate PubChem CID: 138378 IUPAC Name: methyl 3-phenylprop-2-ynoate SMILES: COC(=O)C#CC1=CC=CC=C1
| PubChem CID | 138378 |
|---|---|
| CAS | 4891-38-7 |
| Molecular Weight (g/mol) | 160.172 |
| MDL Number | MFCD00041685 |
| SMILES | COC(=O)C#CC1=CC=CC=C1 |
| Synonym | methyl phenylpropiolate,methyl 3-phenylpropiolate,phenylpropynoic acid methyl ester,2-propynoic acid, 3-phenyl-, methyl ester,methyl phenylpropargylate,phenylpropiolic acid methyl ester,propiolic acid, 3-phenyl-, methyl ester,methylphenylpropalate,propiolic acid, phenyl-, methyl ester,methyl phenylpropynoate |
| IUPAC Name | methyl 3-phenylprop-2-ynoate |
| InChI Key | JFGWPXKGINUNDH-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
1,2-Bis(chloroacetoxy)ethane 98.0+%, TCI America™
CAS: 6941-69-1 Molecular Formula: C6H8Cl2O4 Molecular Weight (g/mol): 215.026 MDL Number: MFCD00045277 InChI Key: HIIBHBNRMVLLKH-UHFFFAOYSA-N Synonym: Ethylene Glycol Bis(monochloroacetate), Ethylene Glycol Dichloroacetate PubChem CID: 81365 IUPAC Name: 2-(2-chloroacetyl)oxyethyl 2-chloroacetate SMILES: C(COC(=O)CCl)OC(=O)CCl
| PubChem CID | 81365 |
|---|---|
| CAS | 6941-69-1 |
| Molecular Weight (g/mol) | 215.026 |
| MDL Number | MFCD00045277 |
| SMILES | C(COC(=O)CCl)OC(=O)CCl |
| Synonym | Ethylene Glycol Bis(monochloroacetate), Ethylene Glycol Dichloroacetate |
| IUPAC Name | 2-(2-chloroacetyl)oxyethyl 2-chloroacetate |
| InChI Key | HIIBHBNRMVLLKH-UHFFFAOYSA-N |
| Molecular Formula | C6H8Cl2O4 |
m-Tolylacetic Acid 98.0+%, TCI America™
CAS: 621-36-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00004340 InChI Key: GJMPSRSMBJLKKB-UHFFFAOYSA-N Synonym: 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate PubChem CID: 12121 IUPAC Name: 2-(3-methylphenyl)acetic acid SMILES: CC1=CC=CC(CC(O)=O)=C1
| PubChem CID | 12121 |
|---|---|
| CAS | 621-36-3 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00004340 |
| SMILES | CC1=CC=CC(CC(O)=O)=C1 |
| Synonym | 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate |
| IUPAC Name | 2-(3-methylphenyl)acetic acid |
| InChI Key | GJMPSRSMBJLKKB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
5-Ethylhydantoin 92.0+%, TCI America™
CAS: 15414-82-1 Molecular Formula: C5H8N2O2 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00059161 InChI Key: RSBRXBZGVHQUJK-UHFFFAOYNA-N PubChem CID: 253217 IUPAC Name: 5-ethylimidazolidine-2,4-dione SMILES: CCC1NC(=O)NC1=O
| PubChem CID | 253217 |
|---|---|
| CAS | 15414-82-1 |
| Molecular Weight (g/mol) | 128.13 |
| MDL Number | MFCD00059161 |
| SMILES | CCC1NC(=O)NC1=O |
| IUPAC Name | 5-ethylimidazolidine-2,4-dione |
| InChI Key | RSBRXBZGVHQUJK-UHFFFAOYNA-N |
| Molecular Formula | C5H8N2O2 |
1-Cyclohexene-1-carboxylic Acid 98.0+%, TCI America™
CAS: 636-82-8 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00001545 InChI Key: NMEZJSDUZQOPFE-UHFFFAOYSA-N Synonym: 1-cyclohexene-1-carboxylic acid,1-cyclohexenecarboxylic acid,cyclohex-1-enecarboxylic acid,cyclohexenecarboxylic acid,cyclohex-1-ene-1-carboxylic acid,1-cyclohexenecarboxylicacid,cyclohexenyl carboxylic acid,1-cyclohexene carboxylic acid,acmc-1b731,3,4,5,6-tetrahydrobenzoic acid PubChem CID: 69470 ChEBI: CHEBI:29565 IUPAC Name: cyclohexene-1-carboxylic acid SMILES: C1CCC(=CC1)C(=O)O
| PubChem CID | 69470 |
|---|---|
| CAS | 636-82-8 |
| Molecular Weight (g/mol) | 126.155 |
| ChEBI | CHEBI:29565 |
| MDL Number | MFCD00001545 |
| SMILES | C1CCC(=CC1)C(=O)O |
| Synonym | 1-cyclohexene-1-carboxylic acid,1-cyclohexenecarboxylic acid,cyclohex-1-enecarboxylic acid,cyclohexenecarboxylic acid,cyclohex-1-ene-1-carboxylic acid,1-cyclohexenecarboxylicacid,cyclohexenyl carboxylic acid,1-cyclohexene carboxylic acid,acmc-1b731,3,4,5,6-tetrahydrobenzoic acid |
| IUPAC Name | cyclohexene-1-carboxylic acid |
| InChI Key | NMEZJSDUZQOPFE-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
Disodium 1,3-Benzenedisulfonate 55.0+%, TCI America™
CAS: 831-59-4 Molecular Formula: C6H4Na2O6S2 Molecular Weight (g/mol): 282.19 MDL Number: MFCD00007492 InChI Key: XWPWZOJBTOJEGW-UHFFFAOYSA-L Synonym: disodium 1,3-benzenedisulfonate,disodium benzene-1,3-disulfonate,1,3-benzenedisulfonic acid, disodium salt,benzene-1,3-disulfonic acid disodium salt,1,3-benzenedisulfonic acid disodium salt,disodium benzene-1,3-disulphonate,disodium m-benzenedisulfonate,sodium benzene-1,3-disulfonate,1,3-benzenedisulfonic acid, sodium salt 1:2,m-benzenedisulfonic acid, disodium salt PubChem CID: 71577 IUPAC Name: disodium benzene-1,3-disulfonate SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1)S([O-])(=O)=O
| PubChem CID | 71577 |
|---|---|
| CAS | 831-59-4 |
| Molecular Weight (g/mol) | 282.19 |
| MDL Number | MFCD00007492 |
| SMILES | [Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1)S([O-])(=O)=O |
| Synonym | disodium 1,3-benzenedisulfonate,disodium benzene-1,3-disulfonate,1,3-benzenedisulfonic acid, disodium salt,benzene-1,3-disulfonic acid disodium salt,1,3-benzenedisulfonic acid disodium salt,disodium benzene-1,3-disulphonate,disodium m-benzenedisulfonate,sodium benzene-1,3-disulfonate,1,3-benzenedisulfonic acid, sodium salt 1:2,m-benzenedisulfonic acid, disodium salt |
| IUPAC Name | disodium benzene-1,3-disulfonate |
| InChI Key | XWPWZOJBTOJEGW-UHFFFAOYSA-L |
| Molecular Formula | C6H4Na2O6S2 |
Ethyl DL-3-Hydroxybutyrate 98.0+%, TCI America™
CAS: 5405-41-4 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00004545 InChI Key: OMSUIQOIVADKIM-UHFFFAOYNA-N Synonym: ethyl 3-hydroxybutyrate,ethyl beta-hydroxybutyrate,butanoic acid, 3-hydroxy-, ethyl ester,butyric acid, 3-hydroxy-, ethyl ester,fema no. 3428,ethyl 3-hydroxybutyrate natural,ethyl dl-3-hydroxybutyrate,ethyl 1-3-hydroxybutyrate,dl-3-hydroxy-n-butyric acid ethyl ester,ethyl3-hydroxybutyrate PubChem CID: 62572 ChEBI: CHEBI:87685 IUPAC Name: ethyl 3-hydroxybutanoate SMILES: CCOC(=O)CC(C)O
| PubChem CID | 62572 |
|---|---|
| CAS | 5405-41-4 |
| Molecular Weight (g/mol) | 132.16 |
| ChEBI | CHEBI:87685 |
| MDL Number | MFCD00004545 |
| SMILES | CCOC(=O)CC(C)O |
| Synonym | ethyl 3-hydroxybutyrate,ethyl beta-hydroxybutyrate,butanoic acid, 3-hydroxy-, ethyl ester,butyric acid, 3-hydroxy-, ethyl ester,fema no. 3428,ethyl 3-hydroxybutyrate natural,ethyl dl-3-hydroxybutyrate,ethyl 1-3-hydroxybutyrate,dl-3-hydroxy-n-butyric acid ethyl ester,ethyl3-hydroxybutyrate |
| IUPAC Name | ethyl 3-hydroxybutanoate |
| InChI Key | OMSUIQOIVADKIM-UHFFFAOYNA-N |
| Molecular Formula | C6H12O3 |
Nitrilotris(methylenephosphonic Acid) (ca. 50% in Water, ca. 2.2mol/L), TCI America™
CAS: 6419-19-8 Molecular Formula: C3H12NO9P3 Molecular Weight (g/mol): 299.048 MDL Number: MFCD00002138 InChI Key: YDONNITUKPKTIG-UHFFFAOYSA-N Synonym: nitrilotris methylene triphosphonic acid,tris phosphonomethyl amine,ferrofos 509,aminotrimethylene phosphonic acid,dowell l 37,dequest 2000,nitrilotrimethylphosphonic acid,nitrilotris methylenephosphonic acid,aminotris methylphosphonic acid,aminotri methylenephosphonic acid PubChem CID: 16698 IUPAC Name: [bis(phosphonomethyl)amino]methylphosphonic acid SMILES: C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O
| PubChem CID | 16698 |
|---|---|
| CAS | 6419-19-8 |
| Molecular Weight (g/mol) | 299.048 |
| MDL Number | MFCD00002138 |
| SMILES | C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O |
| Synonym | nitrilotris methylene triphosphonic acid,tris phosphonomethyl amine,ferrofos 509,aminotrimethylene phosphonic acid,dowell l 37,dequest 2000,nitrilotrimethylphosphonic acid,nitrilotris methylenephosphonic acid,aminotris methylphosphonic acid,aminotri methylenephosphonic acid |
| IUPAC Name | [bis(phosphonomethyl)amino]methylphosphonic acid |
| InChI Key | YDONNITUKPKTIG-UHFFFAOYSA-N |
| Molecular Formula | C3H12NO9P3 |
N-Allylphthalimide 98.0+%, TCI America™
CAS: 5428-09-1 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.20 MDL Number: MFCD00158662 InChI Key: MHHGQWMCVNQHLG-UHFFFAOYSA-N Synonym: 2-allylisoindoline-1,3-dione,n-allylphthalimide,n-2-propenyl phthalimide,2-allyl-1h-isoindole-1,3 2h-dione,2-prop-2-en-1-yl-1h-isoindole-1,3 2h-dione,1h-isoindole-1,3 2h-dione, 2-2-propen-1-yl,2-prop-2-en-1-yl-2,3-dihydro-1h-isoindole-1,3-dione,n-allylphthalimid,n-allyl-phthalimide,2-allylisoindole-1,3-dione PubChem CID: 224401 IUPAC Name: 2-prop-2-enylisoindole-1,3-dione SMILES: C=CCN1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 224401 |
|---|---|
| CAS | 5428-09-1 |
| Molecular Weight (g/mol) | 187.20 |
| MDL Number | MFCD00158662 |
| SMILES | C=CCN1C(=O)C2=CC=CC=C2C1=O |
| Synonym | 2-allylisoindoline-1,3-dione,n-allylphthalimide,n-2-propenyl phthalimide,2-allyl-1h-isoindole-1,3 2h-dione,2-prop-2-en-1-yl-1h-isoindole-1,3 2h-dione,1h-isoindole-1,3 2h-dione, 2-2-propen-1-yl,2-prop-2-en-1-yl-2,3-dihydro-1h-isoindole-1,3-dione,n-allylphthalimid,n-allyl-phthalimide,2-allylisoindole-1,3-dione |
| IUPAC Name | 2-prop-2-enylisoindole-1,3-dione |
| InChI Key | MHHGQWMCVNQHLG-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO2 |
4-Nitrophenyl Phosphate Di(tris) Salt Hydrate 90.0+%, TCI America™
CAS: 68189-42-4 Molecular Formula: C14H28N3O12P Molecular Weight (g/mol): 461.361 MDL Number: MFCD00037009 InChI Key: XXAXKCWOTRABOW-UHFFFAOYSA-N Synonym: Phosphoric Acid 4-Nitrophenyl Ester Bis[tris(hydroxymethyl)aminomethane] Salt, 4-Nitrophenyl Phosphate Bis(tris) Salt PubChem CID: 109721 IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol;(4-nitrophenyl) dihydrogen phosphate SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O
| PubChem CID | 109721 |
|---|---|
| CAS | 68189-42-4 |
| Molecular Weight (g/mol) | 461.361 |
| MDL Number | MFCD00037009 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O |
| Synonym | Phosphoric Acid 4-Nitrophenyl Ester Bis[tris(hydroxymethyl)aminomethane] Salt, 4-Nitrophenyl Phosphate Bis(tris) Salt |
| IUPAC Name | 2-amino-2-(hydroxymethyl)propane-1,3-diol;(4-nitrophenyl) dihydrogen phosphate |
| InChI Key | XXAXKCWOTRABOW-UHFFFAOYSA-N |
| Molecular Formula | C14H28N3O12P |
1,2,3,4,5,6-Cyclohexanehexacarboxylic Acid Monohydrate 97.0+%, TCI America™
CAS: 2216-84-4 Molecular Formula: C12H12O12 Molecular Weight (g/mol): 348.216 MDL Number: MFCD00081090 InChI Key: DTGRIEIJTWNZQF-UHFFFAOYSA-N PubChem CID: 102227 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexacarboxylic acid SMILES: C1(C(C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 102227 |
|---|---|
| CAS | 2216-84-4 |
| Molecular Weight (g/mol) | 348.216 |
| MDL Number | MFCD00081090 |
| SMILES | C1(C(C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexacarboxylic acid |
| InChI Key | DTGRIEIJTWNZQF-UHFFFAOYSA-N |
| Molecular Formula | C12H12O12 |
Isobutyl Butyrate 98.0+%, TCI America™
CAS: 539-90-2 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00027134 InChI Key: RGFNRWTWDWVHDD-UHFFFAOYSA-N Synonym: Butyric Acid Isobutyl Ester PubChem CID: 10885 ChEBI: CHEBI:87683 IUPAC Name: 2-methylpropyl butanoate SMILES: CCCC(=O)OCC(C)C
| PubChem CID | 10885 |
|---|---|
| CAS | 539-90-2 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:87683 |
| MDL Number | MFCD00027134 |
| SMILES | CCCC(=O)OCC(C)C |
| Synonym | Butyric Acid Isobutyl Ester |
| IUPAC Name | 2-methylpropyl butanoate |
| InChI Key | RGFNRWTWDWVHDD-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Sodium 3-Chloro-2-hydroxypropanesulfonate 95.0+%, TCI America™
CAS: 126-83-0 Molecular Formula: C3H6ClNaO4S Molecular Weight (g/mol): 196.577 MDL Number: MFCD00013378 InChI Key: TZLNJNUWVOGZJU-UHFFFAOYSA-M Synonym: 3-Chloro-2-hydroxypropanesulfonic Acid Sodium Salt PubChem CID: 23662382 IUPAC Name: sodium;3-chloro-2-hydroxypropane-1-sulfonate SMILES: C(C(CCl)O)S(=O)(=O)[O-].[Na+]
| PubChem CID | 23662382 |
|---|---|
| CAS | 126-83-0 |
| Molecular Weight (g/mol) | 196.577 |
| MDL Number | MFCD00013378 |
| SMILES | C(C(CCl)O)S(=O)(=O)[O-].[Na+] |
| Synonym | 3-Chloro-2-hydroxypropanesulfonic Acid Sodium Salt |
| IUPAC Name | sodium;3-chloro-2-hydroxypropane-1-sulfonate |
| InChI Key | TZLNJNUWVOGZJU-UHFFFAOYSA-M |
| Molecular Formula | C3H6ClNaO4S |