Organic acids and derivatives
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Sodium Valproate , MP Biomedicals, LLC
CAS: 1069-66-5 Molecular Formula: C8H15NaO2 Molecular Weight (g/mol): 166.20 InChI Key: AEQFSUDEHCCHBT-UHFFFAOYSA-M Synonym: sodium valproate,sodium 2-propylpentanoate,valproate sodium,valproic acid sodium salt,eurekene,labazene,orfiril,epilim,valproic acid sodium,valerin PubChem CID: 16760703 ChEBI: CHEBI:9925
| PubChem CID | 16760703 |
|---|---|
| CAS | 1069-66-5 |
| Molecular Weight (g/mol) | 166.20 |
| ChEBI | CHEBI:9925 |
| Synonym | sodium valproate,sodium 2-propylpentanoate,valproate sodium,valproic acid sodium salt,eurekene,labazene,orfiril,epilim,valproic acid sodium,valerin |
| InChI Key | AEQFSUDEHCCHBT-UHFFFAOYSA-M |
| Molecular Formula | C8H15NaO2 |
Methyl 2-butynoate, 97%
CAS: 23326-27-4 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.1 MDL Number: MFCD00009273 InChI Key: UJQCANQILFWSDJ-UHFFFAOYSA-N Synonym: methyl 2-butynoate,methyl tetrolate,2-butynoic acid, methyl ester,2-butynoic acid methyl ester,tetrolic acid methyl ester,but-2-ynoic acid methyl ester,methyl2-butynoate,methyl 2-butynoate ?,pubchem12783,acmc-1ceil PubChem CID: 141019 IUPAC Name: methyl but-2-ynoate SMILES: CC#CC(=O)OC
| PubChem CID | 141019 |
|---|---|
| CAS | 23326-27-4 |
| Molecular Weight (g/mol) | 98.1 |
| MDL Number | MFCD00009273 |
| SMILES | CC#CC(=O)OC |
| Synonym | methyl 2-butynoate,methyl tetrolate,2-butynoic acid, methyl ester,2-butynoic acid methyl ester,tetrolic acid methyl ester,but-2-ynoic acid methyl ester,methyl2-butynoate,methyl 2-butynoate ?,pubchem12783,acmc-1ceil |
| IUPAC Name | methyl but-2-ynoate |
| InChI Key | UJQCANQILFWSDJ-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
3-(4-Pyridyl)acrylic acid, 97%, Thermo Scientific™
CAS: 5337-79-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00040746 InChI Key: SSAYTINUCCRGDR-OWOJBTEDSA-N Synonym: 3-4-pyridyl acrylic acid,trans-3-4-pyridyl acrylic acid,3-pyridin-4-yl-acrylic acid,4-pyridineacrylic acid,e-3-pyridin-4-yl acrylic acid,3-pyridin-4-yl acrylic acid,2e-3-pyridin-4-ylacrylic acid,3-4-pyridine acrylic acid,2e-3-pyridin-4-yl prop-2-enoic acid,e-3-pyridin-4-yl-acrylic acid PubChem CID: 736782 IUPAC Name: (E)-3-pyridin-4-ylprop-2-enoic acid SMILES: C1=CN=CC=C1C=CC(=O)O
| PubChem CID | 736782 |
|---|---|
| CAS | 5337-79-1 |
| Molecular Weight (g/mol) | 149.15 |
| MDL Number | MFCD00040746 |
| SMILES | C1=CN=CC=C1C=CC(=O)O |
| Synonym | 3-4-pyridyl acrylic acid,trans-3-4-pyridyl acrylic acid,3-pyridin-4-yl-acrylic acid,4-pyridineacrylic acid,e-3-pyridin-4-yl acrylic acid,3-pyridin-4-yl acrylic acid,2e-3-pyridin-4-ylacrylic acid,3-4-pyridine acrylic acid,2e-3-pyridin-4-yl prop-2-enoic acid,e-3-pyridin-4-yl-acrylic acid |
| IUPAC Name | (E)-3-pyridin-4-ylprop-2-enoic acid |
| InChI Key | SSAYTINUCCRGDR-OWOJBTEDSA-N |
| Molecular Formula | C8H7NO2 |
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 |
Methyl DL-lactate, 99%
CAS: 547-64-8 MDL Number: MFCD00066367 InChI Key: LPEKGGXMPWTOCB-UHFFFAOYSA-N Synonym: methyl lactate,dl-methyl lactate,methyl dl-lactate,lactic acid methyl ester,methyl 2-hydroxypropionate,lactic acid, methyl ester,+--methyl lactate,propanoic acid, 2-hydroxy-, methyl ester,methyl alpha-hydroxypropionate,methyl-lactate PubChem CID: 11040 ChEBI: CHEBI:83221 IUPAC Name: methyl 2-hydroxypropanoate SMILES: CC(C(=O)OC)O
| PubChem CID | 11040 |
|---|---|
| CAS | 547-64-8 |
| ChEBI | CHEBI:83221 |
| MDL Number | MFCD00066367 |
| SMILES | CC(C(=O)OC)O |
| Synonym | methyl lactate,dl-methyl lactate,methyl dl-lactate,lactic acid methyl ester,methyl 2-hydroxypropionate,lactic acid, methyl ester,+--methyl lactate,propanoic acid, 2-hydroxy-, methyl ester,methyl alpha-hydroxypropionate,methyl-lactate |
| IUPAC Name | methyl 2-hydroxypropanoate |
| InChI Key | LPEKGGXMPWTOCB-UHFFFAOYSA-N |
Spectrum Chemical Manufacturing Corporation Diethylenetriaminepentaacetic Acid, Pentasodium Salt, 41% Solution in Water, Spectrum™ Chemical
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CAS: 140-01-2 Molecular Formula: C14H18N3Na5O10 Molecular Weight (g/mol): 503.26 MDL Number: MFCD00051016 InChI Key: LQPLDXQVILYOOL-UHFFFAOYSA-I IUPAC Name: pentasodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
| CAS | 140-01-2 |
|---|---|
| Molecular Weight (g/mol) | 503.26 |
| MDL Number | MFCD00051016 |
| SMILES | [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O |
| IUPAC Name | pentasodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate |
| InChI Key | LQPLDXQVILYOOL-UHFFFAOYSA-I |
| Molecular Formula | C14H18N3Na5O10 |
5,6-Dimethyl-2-benzimidazolinone, 98%
CAS: 2033-30-9 Molecular Formula: C9H10N2O Molecular Weight (g/mol): 162.192 MDL Number: MFCD00051725 InChI Key: ORWJLFLEIZBRBR-UHFFFAOYSA-N Synonym: 5,6-dimethyl-1h-benzo d imidazol-2 3h-one,5,6-dimethyl-2-benzimidazolinone,1,3-dihydro-5,6-dimethyl-2h-benzimidazol-2-one,5,6-dimethylbenzimidazolin-2-one,2h-benzimidazol-2-one, 1,3-dihydro-5,6-dimethyl,2h-benzimidazol-2-one,1,3-dihydro-5,6-dimethyl,5,6-dimethyl-3-hydrobenzimidazol-2-one,5,6-dimethyl-1,3-dihydro-1,3-benzodiazol-2-one,5,6-dimethyl-1,3-dihydro-benzoimidazol-2-one,acmc-1cmtt PubChem CID: 74853 IUPAC Name: 5,6-dimethyl-1,3-dihydrobenzimidazol-2-one SMILES: CC1=CC2=C(C=C1C)NC(=O)N2
| PubChem CID | 74853 |
|---|---|
| CAS | 2033-30-9 |
| Molecular Weight (g/mol) | 162.192 |
| MDL Number | MFCD00051725 |
| SMILES | CC1=CC2=C(C=C1C)NC(=O)N2 |
| Synonym | 5,6-dimethyl-1h-benzo d imidazol-2 3h-one,5,6-dimethyl-2-benzimidazolinone,1,3-dihydro-5,6-dimethyl-2h-benzimidazol-2-one,5,6-dimethylbenzimidazolin-2-one,2h-benzimidazol-2-one, 1,3-dihydro-5,6-dimethyl,2h-benzimidazol-2-one,1,3-dihydro-5,6-dimethyl,5,6-dimethyl-3-hydrobenzimidazol-2-one,5,6-dimethyl-1,3-dihydro-1,3-benzodiazol-2-one,5,6-dimethyl-1,3-dihydro-benzoimidazol-2-one,acmc-1cmtt |
| IUPAC Name | 5,6-dimethyl-1,3-dihydrobenzimidazol-2-one |
| InChI Key | ORWJLFLEIZBRBR-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2O |
Spectrum Chemical Manufacturing Corporation Methyl Benzoate, 98%, Spectrum™ Chemical
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CAS: 93-58-3
| CAS | 93-58-3 |
|---|
Sulfanilic acid sodium salt, MP Biomedicals™
CAS: 6106-22-5 Molecular Formula: C6H10NNaO5S Molecular Weight (g/mol): 231.198 InChI Key: MJFZIDUBUNIFLZ-UHFFFAOYSA-M Synonym: sodium sulfanilate dihydrate,unii-y31oen1192,4-aminobenzenesulfonic acid, sodium salt dihydrate,sodium 4-aminobenzenesulfonate dihydrate,benzenesulfonic acid,4-amino-, sodium salt, hydrate 1:1:?,sulfanilic acid sodium salt dihydrate mi,acmc-1b9i8,c6h6nso3.na.2h2o,benzenesulfonic acid, 4-amino-, sodium salt, hydrate 1:1:2,4h-1,4-benzoxazin-4-amine,2,3-dihydro hcl PubChem CID: 23687713 IUPAC Name: sodium;4-aminobenzenesulfonate;dihydrate SMILES: C1=CC(=CC=C1N)S(=O)(=O)[O-].O.O.[Na+]
| PubChem CID | 23687713 |
|---|---|
| CAS | 6106-22-5 |
| Molecular Weight (g/mol) | 231.198 |
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)[O-].O.O.[Na+] |
| Synonym | sodium sulfanilate dihydrate,unii-y31oen1192,4-aminobenzenesulfonic acid, sodium salt dihydrate,sodium 4-aminobenzenesulfonate dihydrate,benzenesulfonic acid,4-amino-, sodium salt, hydrate 1:1:?,sulfanilic acid sodium salt dihydrate mi,acmc-1b9i8,c6h6nso3.na.2h2o,benzenesulfonic acid, 4-amino-, sodium salt, hydrate 1:1:2,4h-1,4-benzoxazin-4-amine,2,3-dihydro hcl |
| IUPAC Name | sodium;4-aminobenzenesulfonate;dihydrate |
| InChI Key | MJFZIDUBUNIFLZ-UHFFFAOYSA-M |
| Molecular Formula | C6H10NNaO5S |
Cyclopropylboronic acid, tech. 85%
CAS: 411235-57-9 Molecular Formula: C3H7BO2 Molecular Weight (g/mol): 85.90 MDL Number: MFCD04038750 InChI Key: WLVKDFJTYKELLQ-UHFFFAOYSA-N Synonym: cyclopropyl boronic acid,cyclopropylboranediol,cyclopropaneboronic acid,boronic acid, cyclopropyl,cyclopropyl-boronic acid,boronic acid, cyclopropyl-9ci,cyclopropylboronicacid,boronocyclopropane,cyclopropyboronic acid,cyclopropylboromc acid PubChem CID: 2760897 IUPAC Name: cyclopropylboronic acid SMILES: OB(O)C1CC1
| PubChem CID | 2760897 |
|---|---|
| CAS | 411235-57-9 |
| Molecular Weight (g/mol) | 85.90 |
| MDL Number | MFCD04038750 |
| SMILES | OB(O)C1CC1 |
| Synonym | cyclopropyl boronic acid,cyclopropylboranediol,cyclopropaneboronic acid,boronic acid, cyclopropyl,cyclopropyl-boronic acid,boronic acid, cyclopropyl-9ci,cyclopropylboronicacid,boronocyclopropane,cyclopropyboronic acid,cyclopropylboromc acid |
| IUPAC Name | cyclopropylboronic acid |
| InChI Key | WLVKDFJTYKELLQ-UHFFFAOYSA-N |
| Molecular Formula | C3H7BO2 |
Levulinic acid, 98%
CAS: 123-76-2 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 MDL Number: MFCD00002796 InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N Synonym: levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid PubChem CID: 11579 ChEBI: CHEBI:45630 IUPAC Name: 4-oxopentanoic acid SMILES: CC(=O)CCC(=O)O
| PubChem CID | 11579 |
|---|---|
| CAS | 123-76-2 |
| Molecular Weight (g/mol) | 116.116 |
| ChEBI | CHEBI:45630 |
| MDL Number | MFCD00002796 |
| SMILES | CC(=O)CCC(=O)O |
| Synonym | levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid |
| IUPAC Name | 4-oxopentanoic acid |
| InChI Key | JOOXCMJARBKPKM-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
2,2,2-Trifluoroethyl trifluoroacetate, 97+%, Thermo Scientific Chemicals
CAS: 407-38-5 Molecular Formula: C4H2F6O2 Molecular Weight (g/mol): 196.05 MDL Number: MFCD00000418 InChI Key: ZKUJOCJJXCPCFS-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate PubChem CID: 67888 IUPAC Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate SMILES: FC(F)(F)COC(=O)C(F)(F)F
| PubChem CID | 67888 |
|---|---|
| CAS | 407-38-5 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00000418 |
| SMILES | FC(F)(F)COC(=O)C(F)(F)F |
| Synonym | 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate |
| IUPAC Name | 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate |
| InChI Key | ZKUJOCJJXCPCFS-UHFFFAOYSA-N |
| Molecular Formula | C4H2F6O2 |
2-Bromoacetamide, 98%
CAS: 683-57-8 Molecular Formula: C2H4BrNO Molecular Weight (g/mol): 137.96 MDL Number: MFCD00008025 InChI Key: JUIKUQOUMZUFQT-UHFFFAOYSA-N Synonym: bromoacetamide,acetamide, 2-bromo,2-bromo-acetamide,alpha-bromoacetamide,bromacetamide,bromoacetoamide,bromo acetamide,2-bromoacetoamide,2-bromo acetamide,sjyhcabiktp@ PubChem CID: 69632 IUPAC Name: 2-bromoacetamide SMILES: C(C(=O)N)Br
| PubChem CID | 69632 |
|---|---|
| CAS | 683-57-8 |
| Molecular Weight (g/mol) | 137.96 |
| MDL Number | MFCD00008025 |
| SMILES | C(C(=O)N)Br |
| Synonym | bromoacetamide,acetamide, 2-bromo,2-bromo-acetamide,alpha-bromoacetamide,bromacetamide,bromoacetoamide,bromo acetamide,2-bromoacetoamide,2-bromo acetamide,sjyhcabiktp@ |
| IUPAC Name | 2-bromoacetamide |
| InChI Key | JUIKUQOUMZUFQT-UHFFFAOYSA-N |
| Molecular Formula | C2H4BrNO |
Methyl 6-methoxyindole-2-carboxylate, 97%
CAS: 98081-83-5 Molecular Formula: C11H11NO3 Molecular Weight (g/mol): 205.21 MDL Number: MFCD00134301 InChI Key: OPUUCOLVBDQWEY-UHFFFAOYSA-N Synonym: methyl 6-methoxy-2-indolecarboxylate,6-methoxy-1h-indole-2-carboxylic acid methyl ester,methyl-6-methoxy-2-indolecarboxylate,methyl 6-methoxy-indole-2-carboxylate,6-methoxyindole-2-carboxylic acid methyl ester,methyl 6-methoxyindole-2-carboxylate,1h-indole-2-carboxylic acid, 6-methoxy-, methyl ester,methyl 6-methoxy-2-indolecarboxylat,pubchem7251,6-methoxy-2-indolecarboxylate PubChem CID: 688173 IUPAC Name: methyl 6-methoxy-1H-indole-2-carboxylate SMILES: COC(=O)C1=CC2=CC=C(OC)C=C2N1
| PubChem CID | 688173 |
|---|---|
| CAS | 98081-83-5 |
| Molecular Weight (g/mol) | 205.21 |
| MDL Number | MFCD00134301 |
| SMILES | COC(=O)C1=CC2=CC=C(OC)C=C2N1 |
| Synonym | methyl 6-methoxy-2-indolecarboxylate,6-methoxy-1h-indole-2-carboxylic acid methyl ester,methyl-6-methoxy-2-indolecarboxylate,methyl 6-methoxy-indole-2-carboxylate,6-methoxyindole-2-carboxylic acid methyl ester,methyl 6-methoxyindole-2-carboxylate,1h-indole-2-carboxylic acid, 6-methoxy-, methyl ester,methyl 6-methoxy-2-indolecarboxylat,pubchem7251,6-methoxy-2-indolecarboxylate |
| IUPAC Name | methyl 6-methoxy-1H-indole-2-carboxylate |
| InChI Key | OPUUCOLVBDQWEY-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO3 |
Sodium Lactate Solution, FCC, 60%, Spectrum™ Chemical
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Molecular Formula: C3H5NaO3 Molecular Weight (g/mol): 112.06 InChI Key: NGSFWBMYFKHRBD-UHFFFAOYNA-M IUPAC Name: sodium 2-hydroxypropanoate SMILES: [Na+].CC(O)C([O-])=O
| Molecular Weight (g/mol) | 112.06 |
|---|---|
| SMILES | [Na+].CC(O)C([O-])=O |
| IUPAC Name | sodium 2-hydroxypropanoate |
| InChI Key | NGSFWBMYFKHRBD-UHFFFAOYNA-M |
| Molecular Formula | C3H5NaO3 |