Organic acids and derivatives
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Succinic acid, disodium salt, 99%, anhydrous
CAS: 150-90-3 Molecular Formula: C4H4Na2O4 Molecular Weight (g/mol): 162.052 MDL Number: MFCD00002790 InChI Key: ZDQYSKICYIVCPN-UHFFFAOYSA-L Synonym: disodium succinate,sodium succinate,disodium butanedioate,butanedioic acid, disodium salt,soduxin,succinic acid disodium salt,jantaran sodny czech,unii-v8zgc8isr3,succinic acid, disodium salt,fema no. 3277 PubChem CID: 9020 ChEBI: CHEBI:63675 IUPAC Name: disodium;butanedioate SMILES: C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]
| PubChem CID | 9020 |
|---|---|
| CAS | 150-90-3 |
| Molecular Weight (g/mol) | 162.052 |
| ChEBI | CHEBI:63675 |
| MDL Number | MFCD00002790 |
| SMILES | C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Synonym | disodium succinate,sodium succinate,disodium butanedioate,butanedioic acid, disodium salt,soduxin,succinic acid disodium salt,jantaran sodny czech,unii-v8zgc8isr3,succinic acid, disodium salt,fema no. 3277 |
| IUPAC Name | disodium;butanedioate |
| InChI Key | ZDQYSKICYIVCPN-UHFFFAOYSA-L |
| Molecular Formula | C4H4Na2O4 |
Ethyl 3-hydroxybutyrate, 99%
CAS: 5405-41-4 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00004545 InChI Key: OMSUIQOIVADKIM-UHFFFAOYNA-N 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 |
| IUPAC Name | ethyl 3-hydroxybutanoate |
| InChI Key | OMSUIQOIVADKIM-UHFFFAOYNA-N |
| Molecular Formula | C6H12O3 |
Cyclohexanecarboxylic acid, 98%
CAS: 98-89-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001461 InChI Key: NZNMSOFKMUBTKW-UHFFFAOYSA-N Synonym: hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid PubChem CID: 7413 ChEBI: CHEBI:36096 IUPAC Name: cyclohexanecarboxylic acid SMILES: C1CCC(CC1)C(=O)O
| PubChem CID | 7413 |
|---|---|
| CAS | 98-89-5 |
| Molecular Weight (g/mol) | 128.17 |
| ChEBI | CHEBI:36096 |
| MDL Number | MFCD00001461 |
| SMILES | C1CCC(CC1)C(=O)O |
| Synonym | hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid |
| IUPAC Name | cyclohexanecarboxylic acid |
| InChI Key | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Thioacetic acid, 98%
CAS: 507-09-5 Molecular Formula: C2H4OS Molecular Weight (g/mol): 76.11 MDL Number: MFCD00004853 InChI Key: DUYAAUVXQSMXQP-UHFFFAOYSA-N Synonym: thioacetic acid,ethanethioic acid,thiacetic acid,thioacetic s-acid,acetyl mercaptan,ethanethiolic acid,thiolacetic acid,thionoacetic acid,methanecarbothiolic acid,ch3cosh PubChem CID: 10484 ChEBI: CHEBI:16555 IUPAC Name: ethanethioic S-acid SMILES: CC(S)=O
| PubChem CID | 10484 |
|---|---|
| CAS | 507-09-5 |
| Molecular Weight (g/mol) | 76.11 |
| ChEBI | CHEBI:16555 |
| MDL Number | MFCD00004853 |
| SMILES | CC(S)=O |
| Synonym | thioacetic acid,ethanethioic acid,thiacetic acid,thioacetic s-acid,acetyl mercaptan,ethanethiolic acid,thiolacetic acid,thionoacetic acid,methanecarbothiolic acid,ch3cosh |
| IUPAC Name | ethanethioic S-acid |
| InChI Key | DUYAAUVXQSMXQP-UHFFFAOYSA-N |
| Molecular Formula | C2H4OS |
1,3-Dimethylurea, 98%
CAS: 96-31-1 Molecular Formula: C3H8N2O Molecular Weight (g/mol): 88.11 MDL Number: MFCD00008286 InChI Key: MGJKQDOBUOMPEZ-UHFFFAOYSA-N Synonym: n,n'-dimethylurea,sym-dimethylurea,urea, n,n'-dimethyl,dimethylurea,symmetric dimethylurea,urea, 1,3-dimethyl,n,n'-dimethylharnstoff,1,3-dimethyl urea,n,n'-dimethylharnstoff german,unii-wam6dr9i4x PubChem CID: 7293 ChEBI: CHEBI:80472 IUPAC Name: 1,3-dimethylurea SMILES: CNC(=O)NC
| PubChem CID | 7293 |
|---|---|
| CAS | 96-31-1 |
| Molecular Weight (g/mol) | 88.11 |
| ChEBI | CHEBI:80472 |
| MDL Number | MFCD00008286 |
| SMILES | CNC(=O)NC |
| Synonym | n,n'-dimethylurea,sym-dimethylurea,urea, n,n'-dimethyl,dimethylurea,symmetric dimethylurea,urea, 1,3-dimethyl,n,n'-dimethylharnstoff,1,3-dimethyl urea,n,n'-dimethylharnstoff german,unii-wam6dr9i4x |
| IUPAC Name | 1,3-dimethylurea |
| InChI Key | MGJKQDOBUOMPEZ-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O |
Isatoic anhydride, 98%
CAS: 118-48-9 Molecular Formula: C8H5NO3 Molecular Weight (g/mol): 163.13 MDL Number: MFCD00006700 InChI Key: TXJUTRJFNRYTHH-UHFFFAOYSA-N Synonym: isatoic anhydride,2h-3,1-benzoxazine-2,4 1h-dione,1h-benzo d 1,3 oxazine-2,4-dione,isatoic acid anhydride,4h-3,1-benzoxazine-2,4 1h-dione,isato acid anhydride,n-carboxyanthranilic anhydride,unii-r8tfa74y4u,3,1-benzoxazine-2,4 1h-dione,anthranilic acid, n-carboxy-, cyclic anhydride PubChem CID: 8359 SMILES: O=C1NC2=CC=CC=C2C(=O)O1
| PubChem CID | 8359 |
|---|---|
| CAS | 118-48-9 |
| Molecular Weight (g/mol) | 163.13 |
| MDL Number | MFCD00006700 |
| SMILES | O=C1NC2=CC=CC=C2C(=O)O1 |
| Synonym | isatoic anhydride,2h-3,1-benzoxazine-2,4 1h-dione,1h-benzo d 1,3 oxazine-2,4-dione,isatoic acid anhydride,4h-3,1-benzoxazine-2,4 1h-dione,isato acid anhydride,n-carboxyanthranilic anhydride,unii-r8tfa74y4u,3,1-benzoxazine-2,4 1h-dione,anthranilic acid, n-carboxy-, cyclic anhydride |
| InChI Key | TXJUTRJFNRYTHH-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO3 |
kappa-Carrageenan
CAS: 11114-20-8 Molecular Formula: C24H36O25S2-2 Molecular Weight (g/mol): 788.647 MDL Number: MFCD00151514 InChI Key: ZNOZWUKQPJXOIG-XSBHQQIPSA-L Synonym: kappa-carrageenan,kappa-carrageenans,1->4-3,6-anhydro-alpha-d-galactopyranosyl-1->3-4-o-sulfonato-beta-d-galactopyranan PubChem CID: 11966249 IUPAC Name: [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-2-( SMILES: C1C2C(C(O1)C(C(O2)O)O)OC3C(C(C(C(O3)CO)OS(=O)(=O)[O-])OC4C(C5C(C(O4)CO5)OC6C(C(C(C(O6)CO)OS(=O)(=O)[O-])O)O)O)O
| PubChem CID | 11966249 |
|---|---|
| CAS | 11114-20-8 |
| Molecular Weight (g/mol) | 788.647 |
| MDL Number | MFCD00151514 |
| SMILES | C1C2C(C(O1)C(C(O2)O)O)OC3C(C(C(C(O3)CO)OS(=O)(=O)[O-])OC4C(C5C(C(O4)CO5)OC6C(C(C(C(O6)CO)OS(=O)(=O)[O-])O)O)O)O |
| Synonym | kappa-carrageenan,kappa-carrageenans,1->4-3,6-anhydro-alpha-d-galactopyranosyl-1->3-4-o-sulfonato-beta-d-galactopyranan |
| IUPAC Name | [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-2-( |
| InChI Key | ZNOZWUKQPJXOIG-XSBHQQIPSA-L |
| Molecular Formula | C24H36O25S2-2 |
1,3-Dichloro-5,5-dimethylhydantoin, 98%
CAS: 118-52-5 Molecular Formula: C5H6Cl2N2O2 Molecular Weight (g/mol): 197.015 MDL Number: MFCD00003190 InChI Key: KEQGZUUPPQEDPF-UHFFFAOYSA-N Synonym: 1,3-dichloro-5,5-dimethylhydantoin,dantoin,dactin,daktin,dichlorantin,omchlor,halane,hydan,hydantoin, dichlorodimethyl,hydan antiseptic PubChem CID: 8360 IUPAC Name: 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C(=O)N(C(=O)N1Cl)Cl)C
| PubChem CID | 8360 |
|---|---|
| CAS | 118-52-5 |
| Molecular Weight (g/mol) | 197.015 |
| MDL Number | MFCD00003190 |
| SMILES | CC1(C(=O)N(C(=O)N1Cl)Cl)C |
| Synonym | 1,3-dichloro-5,5-dimethylhydantoin,dantoin,dactin,daktin,dichlorantin,omchlor,halane,hydan,hydantoin, dichlorodimethyl,hydan antiseptic |
| IUPAC Name | 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | KEQGZUUPPQEDPF-UHFFFAOYSA-N |
| Molecular Formula | C5H6Cl2N2O2 |
Methyl acrylate, 99%, stab. with ca 15ppm 4-methoxyphenol
CAS: 96-33-3 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008627 InChI Key: BAPJBEWLBFYGME-UHFFFAOYSA-N Synonym: methyl acrylate,methylacrylate,acrylic acid methyl ester,2-propenoic acid, methyl ester,methyl 2-propenoate,methyl propenoate,methylacrylaat,metilacrilato,methyl-acrylat,methoxycarbonylethylene PubChem CID: 7294 ChEBI: CHEBI:82482 IUPAC Name: methyl prop-2-enoate SMILES: COC(=O)C=C
| PubChem CID | 7294 |
|---|---|
| CAS | 96-33-3 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:82482 |
| MDL Number | MFCD00008627 |
| SMILES | COC(=O)C=C |
| Synonym | methyl acrylate,methylacrylate,acrylic acid methyl ester,2-propenoic acid, methyl ester,methyl 2-propenoate,methyl propenoate,methylacrylaat,metilacrilato,methyl-acrylat,methoxycarbonylethylene |
| IUPAC Name | methyl prop-2-enoate |
| InChI Key | BAPJBEWLBFYGME-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
Ethyl iodoacetate, 98%, Thermo Scientific Chemicals
CAS: 623-48-3 Molecular Formula: C4H7IO2 Molecular Weight (g/mol): 214.00 MDL Number: MFCD00001081 InChI Key: MFFXVVHUKRKXCI-UHFFFAOYSA-N Synonym: ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl PubChem CID: 12183 IUPAC Name: ethyl 2-iodoacetate SMILES: CCOC(=O)CI
| PubChem CID | 12183 |
|---|---|
| CAS | 623-48-3 |
| Molecular Weight (g/mol) | 214.00 |
| MDL Number | MFCD00001081 |
| SMILES | CCOC(=O)CI |
| Synonym | ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl |
| IUPAC Name | ethyl 2-iodoacetate |
| InChI Key | MFFXVVHUKRKXCI-UHFFFAOYSA-N |
| Molecular Formula | C4H7IO2 |
3,4-Dichlorobenzeneboronic acid, 97%
CAS: 151169-75-4 Molecular Formula: C6H5BCl2O2 Molecular Weight (g/mol): 190.81 MDL Number: MFCD01074646 InChI Key: JKIGHOARKAIPJI-UHFFFAOYSA-N Synonym: 3,4-dichlorophenyl boronic acid,3,4-dichlorobenzeneboronic acid,3,4-dichlorophenylboronicacid,3,4-dichlorophenyl boranediol,3,4-dichlorophenylbornic acid,chembl20776,3,4-dichloro benzene boronic acid,boronic acid, 3,4-dichlorophenyl,pubchem1812 PubChem CID: 2734330 IUPAC Name: (3,4-dichlorophenyl)boronic acid SMILES: OB(O)C1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 2734330 |
|---|---|
| CAS | 151169-75-4 |
| Molecular Weight (g/mol) | 190.81 |
| MDL Number | MFCD01074646 |
| SMILES | OB(O)C1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 3,4-dichlorophenyl boronic acid,3,4-dichlorobenzeneboronic acid,3,4-dichlorophenylboronicacid,3,4-dichlorophenyl boranediol,3,4-dichlorophenylbornic acid,chembl20776,3,4-dichloro benzene boronic acid,boronic acid, 3,4-dichlorophenyl,pubchem1812 |
| IUPAC Name | (3,4-dichlorophenyl)boronic acid |
| InChI Key | JKIGHOARKAIPJI-UHFFFAOYSA-N |
| Molecular Formula | C6H5BCl2O2 |
1-Dodecanesulfonic acid, sodium salt, 99+%
CAS: 2386-53-0 Molecular Formula: C12H25NaO3S Molecular Weight (g/mol): 272.38 MDL Number: MFCD00007527 InChI Key: DAJSVUQLFFJUSX-UHFFFAOYSA-M Synonym: sodium 1-dodecanesulfonate,sodium dodecane-1-sulfonate,1-dodecanesulfonic acid sodium salt,sodium laurylsulfonate,1-dodecanesulfonic acid, sodium salt,unii-4gy1kjw8si,sodium dodecyl sulfonate,4gy1kjw8si,laurylsulfonic acid sodium salt,1-dodecanesulfonic acid, sodium salt 1:1 PubChem CID: 23665726 IUPAC Name: sodium;dodecane-1-sulfonate SMILES: CCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 23665726 |
|---|---|
| CAS | 2386-53-0 |
| Molecular Weight (g/mol) | 272.38 |
| MDL Number | MFCD00007527 |
| SMILES | CCCCCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium 1-dodecanesulfonate,sodium dodecane-1-sulfonate,1-dodecanesulfonic acid sodium salt,sodium laurylsulfonate,1-dodecanesulfonic acid, sodium salt,unii-4gy1kjw8si,sodium dodecyl sulfonate,4gy1kjw8si,laurylsulfonic acid sodium salt,1-dodecanesulfonic acid, sodium salt 1:1 |
| IUPAC Name | sodium;dodecane-1-sulfonate |
| InChI Key | DAJSVUQLFFJUSX-UHFFFAOYSA-M |
| Molecular Formula | C12H25NaO3S |
Iron(III) oxalate hexahydrate
CAS: 166897-40-1 Molecular Formula: C6H12Fe2O18 Molecular Weight (g/mol): 483.834 MDL Number: MFCD00054430 InChI Key: FWXIZVVTJVNNRX-UHFFFAOYSA-H Synonym: ferric oxalate hexahydrate PubChem CID: 131849393 IUPAC Name: iron(3+);oxalate;hexahydrate SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.O.O.O.O.[Fe+3].[Fe+3]
| PubChem CID | 131849393 |
|---|---|
| CAS | 166897-40-1 |
| Molecular Weight (g/mol) | 483.834 |
| MDL Number | MFCD00054430 |
| SMILES | C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.O.O.O.O.[Fe+3].[Fe+3] |
| Synonym | ferric oxalate hexahydrate |
| IUPAC Name | iron(3+);oxalate;hexahydrate |
| InChI Key | FWXIZVVTJVNNRX-UHFFFAOYSA-H |
| Molecular Formula | C6H12Fe2O18 |
Ethyl-m-Aminobenzoate, methanesulfonate salt, MP Biomedicals™
CAS: 886-86-2 Molecular Formula: C10H15NO5S Molecular Weight (g/mol): 261.292 MDL Number: MFCD00013176 InChI Key: FQZJYWMRQDKBQN-UHFFFAOYSA-N Synonym: ethyl 3-aminobenzoate methanesulfonate,tricaine,tricaine methanesulfonate,finquel,metacaine,tricaine mesylate,3-aminobenzoic acid ethyl ester methanesulfonate,ethyl m-aminobenzoate methanesulfonate,ethyl 3-aminobenzoate methanesulfonic acid salt,3-aminobenzoic acid ethyl ester methanesulfonate salt PubChem CID: 261501 IUPAC Name: ethyl 3-aminobenzoate;methanesulfonic acid SMILES: CCOC(=O)C1=CC(=CC=C1)N.CS(=O)(=O)O
| PubChem CID | 261501 |
|---|---|
| CAS | 886-86-2 |
| Molecular Weight (g/mol) | 261.292 |
| MDL Number | MFCD00013176 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)N.CS(=O)(=O)O |
| Synonym | ethyl 3-aminobenzoate methanesulfonate,tricaine,tricaine methanesulfonate,finquel,metacaine,tricaine mesylate,3-aminobenzoic acid ethyl ester methanesulfonate,ethyl m-aminobenzoate methanesulfonate,ethyl 3-aminobenzoate methanesulfonic acid salt,3-aminobenzoic acid ethyl ester methanesulfonate salt |
| IUPAC Name | ethyl 3-aminobenzoate;methanesulfonic acid |
| InChI Key | FQZJYWMRQDKBQN-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO5S |
Sodium 1-hexadecanesulfonate, 97%
CAS: 15015-81-3 Molecular Formula: C16H33NaO3S Molecular Weight (g/mol): 328.487 MDL Number: MFCD00007528 InChI Key: PNGBYKXZVCIZRN-UHFFFAOYSA-M Synonym: sodium cetylsulfonate,sodium 1-hexadecanesulfonate,1-hexadecanesulfonic acid sodium salt,1-hexadecanesulfonic acid, sodium salt,sodium hexadecane-1-sulfonate,unii-sk4e885p15,sodium hexadecane-1-sulphonate,cetylsulfonic acid sodium salt,1-hexadecanesulfonic acid, sodium salt 1:1,hexadecylsulfonic acid sodium salt PubChem CID: 23665769 IUPAC Name: sodium;hexadecane-1-sulfonate SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 23665769 |
|---|---|
| CAS | 15015-81-3 |
| Molecular Weight (g/mol) | 328.487 |
| MDL Number | MFCD00007528 |
| SMILES | CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium cetylsulfonate,sodium 1-hexadecanesulfonate,1-hexadecanesulfonic acid sodium salt,1-hexadecanesulfonic acid, sodium salt,sodium hexadecane-1-sulfonate,unii-sk4e885p15,sodium hexadecane-1-sulphonate,cetylsulfonic acid sodium salt,1-hexadecanesulfonic acid, sodium salt 1:1,hexadecylsulfonic acid sodium salt |
| IUPAC Name | sodium;hexadecane-1-sulfonate |
| InChI Key | PNGBYKXZVCIZRN-UHFFFAOYSA-M |
| Molecular Formula | C16H33NaO3S |