Organic acids and derivatives
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Silver(I) citrate hydrate
CAS: 206986-90-5 Molecular Formula: C6H5Ag3O7 Molecular Weight (g/mol): 512.70 MDL Number: MFCD00150589 InChI Key: QUTYHQJYVDNJJA-UHFFFAOYSA-K Synonym: silver i citrate hydrate,trisilver 1+ citrate hydrate PubChem CID: 16212313 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;silver;hydrate SMILES: [Ag+].[Ag+].[Ag+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| PubChem CID | 16212313 |
|---|---|
| CAS | 206986-90-5 |
| Molecular Weight (g/mol) | 512.70 |
| MDL Number | MFCD00150589 |
| SMILES | [Ag+].[Ag+].[Ag+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| Synonym | silver i citrate hydrate,trisilver 1+ citrate hydrate |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;silver;hydrate |
| InChI Key | QUTYHQJYVDNJJA-UHFFFAOYSA-K |
| Molecular Formula | C6H5Ag3O7 |
3-(Ethoxycarbonyl)benzeneboronic acid, 97%
CAS: 4334-87-6 Molecular Formula: C9H11BO4 Molecular Weight (g/mol): 193.99 MDL Number: MFCD02179444 InChI Key: REHVCPNQQBDOJJ-UHFFFAOYSA-N Synonym: 3-ethoxycarbonyl phenylboronic acid,3-ethoxycarbonylphenyl boronic acid,3-carbethoxyphenylboronic acid,m-ethoxycarbonylphenylboronic acid,3-ethoxycarbonyl phenyl boronic acid,ethyl 3-dihydroxyboranyl benzoate,ethyl 3-boronobenzoate,3-ethoxycarbonylbenzeneboronic acid,3-ethoxycarbonyl benzeneboronic acid PubChem CID: 3249312 IUPAC Name: (3-ethoxycarbonylphenyl)boronic acid SMILES: CCOC(=O)C1=CC=CC(=C1)B(O)O
| PubChem CID | 3249312 |
|---|---|
| CAS | 4334-87-6 |
| Molecular Weight (g/mol) | 193.99 |
| MDL Number | MFCD02179444 |
| SMILES | CCOC(=O)C1=CC=CC(=C1)B(O)O |
| Synonym | 3-ethoxycarbonyl phenylboronic acid,3-ethoxycarbonylphenyl boronic acid,3-carbethoxyphenylboronic acid,m-ethoxycarbonylphenylboronic acid,3-ethoxycarbonyl phenyl boronic acid,ethyl 3-dihydroxyboranyl benzoate,ethyl 3-boronobenzoate,3-ethoxycarbonylbenzeneboronic acid,3-ethoxycarbonyl benzeneboronic acid |
| IUPAC Name | (3-ethoxycarbonylphenyl)boronic acid |
| InChI Key | REHVCPNQQBDOJJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11BO4 |
1,3-Propanesultone, 99%
CAS: 1120-71-4 Molecular Formula: C3H6O3S Molecular Weight (g/mol): 122.14 MDL Number: MFCD00005355 InChI Key: FSSPGSAQUIYDCN-UHFFFAOYSA-N Synonym: 1,3-propanesultone,propane sultone,1,2-oxathiolane 2,2-dioxide,1,3-propane sultone,1,2-oxathiolane, 2,2-dioxide,propanesultone,rcra waste number u193,.gamma.-propane sultone,3-hydroxy-1-propanesulfonic acid gamma-sultone,unii-l6ntk7vjx9 PubChem CID: 14264 ChEBI: CHEBI:82370 SMILES: O=S1(=O)CCCO1
| PubChem CID | 14264 |
|---|---|
| CAS | 1120-71-4 |
| Molecular Weight (g/mol) | 122.14 |
| ChEBI | CHEBI:82370 |
| MDL Number | MFCD00005355 |
| SMILES | O=S1(=O)CCCO1 |
| Synonym | 1,3-propanesultone,propane sultone,1,2-oxathiolane 2,2-dioxide,1,3-propane sultone,1,2-oxathiolane, 2,2-dioxide,propanesultone,rcra waste number u193,.gamma.-propane sultone,3-hydroxy-1-propanesulfonic acid gamma-sultone,unii-l6ntk7vjx9 |
| InChI Key | FSSPGSAQUIYDCN-UHFFFAOYSA-N |
| Molecular Formula | C3H6O3S |
Trifluoromethanesulfonic anhydride, 98%
CAS: 358-23-6 Molecular Formula: C2F6O5S2 Molecular Weight (g/mol): 282.127 MDL Number: MFCD00000408 InChI Key: WJKHJLXJJJATHN-UHFFFAOYSA-N Synonym: trifluoromethanesulfonic anhydride,triflic anhydride,trifluoromethanesulphonic anhydride,trifluoromethanesulfonic acid anhydride,methanesulfonic acid, trifluoro-, anhydride,trifluoromethanesulphonic acid anhydride,unii-8w034lhg1u,tf2o,trifluoromethane sulfonyl trifluoromethanesulfonate,trifluoromethane sulfonic anhydride PubChem CID: 67749 ChEBI: CHEBI:48509 IUPAC Name: trifluoromethylsulfonyl trifluoromethanesulfonate SMILES: C(F)(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)F
| PubChem CID | 67749 |
|---|---|
| CAS | 358-23-6 |
| Molecular Weight (g/mol) | 282.127 |
| ChEBI | CHEBI:48509 |
| MDL Number | MFCD00000408 |
| SMILES | C(F)(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)F |
| Synonym | trifluoromethanesulfonic anhydride,triflic anhydride,trifluoromethanesulphonic anhydride,trifluoromethanesulfonic acid anhydride,methanesulfonic acid, trifluoro-, anhydride,trifluoromethanesulphonic acid anhydride,unii-8w034lhg1u,tf2o,trifluoromethane sulfonyl trifluoromethanesulfonate,trifluoromethane sulfonic anhydride |
| IUPAC Name | trifluoromethylsulfonyl trifluoromethanesulfonate |
| InChI Key | WJKHJLXJJJATHN-UHFFFAOYSA-N |
| Molecular Formula | C2F6O5S2 |
(S)-2-Hydroxy-3-buten-1-yl p-tosylate, 99%, Thermo Scientific™
CAS: 133095-74-6 Molecular Formula: C11H14O4S Molecular Weight (g/mol): 242.29 MDL Number: MFCD00145259 InChI Key: YQSCDBZHHLIPOI-JTQLQIEISA-N Synonym: s-3-butene-1,2-diol-1-p-toluenesulfonate,s-2-hydroxy-3-butenyl tosylate,3-butene-1,2-diol, 1-4-methylbenzenesulfonate , 2s,2s-1-4-methylbenzenesulfonyl oxy but-3-en-2-ol,pubchem6792,s-3-butene-1,2-diol 1-tosylate,2s-2-hydroxybut-3-enyl 4-methylbenzenesulfonate,s-4-4-methylphenyl sulfonyl oxy-1-butene-3-ol,s-toluene-4-sulfonic acid 2-hydroxy-but-3-enyl ester,3-butene-1,2-diol,1-4-methylbenzenesulfonate , 2s PubChem CID: 7015761 IUPAC Name: [(2S)-2-hydroxybut-3-enyl] 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](O)C=C
| PubChem CID | 7015761 |
|---|---|
| CAS | 133095-74-6 |
| Molecular Weight (g/mol) | 242.29 |
| MDL Number | MFCD00145259 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](O)C=C |
| Synonym | s-3-butene-1,2-diol-1-p-toluenesulfonate,s-2-hydroxy-3-butenyl tosylate,3-butene-1,2-diol, 1-4-methylbenzenesulfonate , 2s,2s-1-4-methylbenzenesulfonyl oxy but-3-en-2-ol,pubchem6792,s-3-butene-1,2-diol 1-tosylate,2s-2-hydroxybut-3-enyl 4-methylbenzenesulfonate,s-4-4-methylphenyl sulfonyl oxy-1-butene-3-ol,s-toluene-4-sulfonic acid 2-hydroxy-but-3-enyl ester,3-butene-1,2-diol,1-4-methylbenzenesulfonate , 2s |
| IUPAC Name | [(2S)-2-hydroxybut-3-enyl] 4-methylbenzenesulfonate |
| InChI Key | YQSCDBZHHLIPOI-JTQLQIEISA-N |
| Molecular Formula | C11H14O4S |
Ethyl tiglate, 98%
CAS: 5837-78-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00015183 InChI Key: OAPHLAAOJMTMLY-GQCTYLIASA-N Synonym: ethyl tiglate,tiglic acid, ethyl ester,ethyl 2-methylcrotonate,ethyl alpha-methylcrotonate,ethyl trans-2-methyl-2-butenoate,e-2-methyl-2-butenoic acid ethyl ester,ethyl e-2-methylcrotonate,ethyl trans-2-methylcrotonate,tiglic acid ethyl ester,ethyl 2-methylbut-2-enoate PubChem CID: 5281163 ChEBI: CHEBI:4892 IUPAC Name: ethyl (E)-2-methylbut-2-enoate SMILES: CCOC(=O)C(=CC)C
| PubChem CID | 5281163 |
|---|---|
| CAS | 5837-78-5 |
| Molecular Weight (g/mol) | 128.171 |
| ChEBI | CHEBI:4892 |
| MDL Number | MFCD00015183 |
| SMILES | CCOC(=O)C(=CC)C |
| Synonym | ethyl tiglate,tiglic acid, ethyl ester,ethyl 2-methylcrotonate,ethyl alpha-methylcrotonate,ethyl trans-2-methyl-2-butenoate,e-2-methyl-2-butenoic acid ethyl ester,ethyl e-2-methylcrotonate,ethyl trans-2-methylcrotonate,tiglic acid ethyl ester,ethyl 2-methylbut-2-enoate |
| IUPAC Name | ethyl (E)-2-methylbut-2-enoate |
| InChI Key | OAPHLAAOJMTMLY-GQCTYLIASA-N |
| Molecular Formula | C7H12O2 |
Sodium DL-Lactate Solution, USP, 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 |
Sodium Ascorbate, FCC, 99-101%, Spectrum™ Chemical
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CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N 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
| CAS | 134-03-2 |
|---|---|
| Molecular Weight (g/mol) | 198.11 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
Sodium DL-Lactate Solution, USP, 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 |
Methyl oxalyl chloride, 97%
CAS: 5781-53-3 Molecular Formula: C3H3ClO3 Molecular Weight (g/mol): 122.504 MDL Number: MFCD00000705 InChI Key: ZXUQEPZWVQIOJE-UHFFFAOYSA-N Synonym: methyl oxalyl chloride,methyl chloroglyoxylate,methyl chlorooxoacetate,chloroglyoxylic acid methyl ester,acetic acid, chlorooxo-, methyl ester,methyl chlorocarbonyl formate,methyloxalylchloride,methyl chloro oxo acetate,methylchlorooxoacetate,methyl 2-chloro-2-oxo-acetate PubChem CID: 79846 IUPAC Name: methyl 2-chloro-2-oxoacetate SMILES: COC(=O)C(=O)Cl
| PubChem CID | 79846 |
|---|---|
| CAS | 5781-53-3 |
| Molecular Weight (g/mol) | 122.504 |
| MDL Number | MFCD00000705 |
| SMILES | COC(=O)C(=O)Cl |
| Synonym | methyl oxalyl chloride,methyl chloroglyoxylate,methyl chlorooxoacetate,chloroglyoxylic acid methyl ester,acetic acid, chlorooxo-, methyl ester,methyl chlorocarbonyl formate,methyloxalylchloride,methyl chloro oxo acetate,methylchlorooxoacetate,methyl 2-chloro-2-oxo-acetate |
| IUPAC Name | methyl 2-chloro-2-oxoacetate |
| InChI Key | ZXUQEPZWVQIOJE-UHFFFAOYSA-N |
| Molecular Formula | C3H3ClO3 |
3-Nitrobenzenesulfonic acid, sodium salt, 97%
CAS: 127-68-4 Molecular Formula: C6H4NNaO5S Molecular Weight (g/mol): 225.15 MDL Number: MFCD00007490 InChI Key: LJRGBERXYNQPJI-UHFFFAOYSA-M Synonym: sodium 3-nitrobenzenesulfonate,3-nitrobenzenesulfonic acid sodium salt,sodium 3-nitrobenzenesulphonate,sodium m-nitrobenzenesulfonate,nitrol s,tiskan czech,ludigol,ludigol f,60,benzenesulfonic acid, 3-nitro-, sodium salt,unii-1f11sxj4c6 PubChem CID: 31389 IUPAC Name: sodium;3-nitrobenzenesulfonate SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
| PubChem CID | 31389 |
|---|---|
| CAS | 127-68-4 |
| Molecular Weight (g/mol) | 225.15 |
| MDL Number | MFCD00007490 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+] |
| Synonym | sodium 3-nitrobenzenesulfonate,3-nitrobenzenesulfonic acid sodium salt,sodium 3-nitrobenzenesulphonate,sodium m-nitrobenzenesulfonate,nitrol s,tiskan czech,ludigol,ludigol f,60,benzenesulfonic acid, 3-nitro-, sodium salt,unii-1f11sxj4c6 |
| IUPAC Name | sodium;3-nitrobenzenesulfonate |
| InChI Key | LJRGBERXYNQPJI-UHFFFAOYSA-M |
| Molecular Formula | C6H4NNaO5S |
Dimethyl trans-1,4-cyclohexanedicarboxylate, 99+%
CAS: 3399-22-2 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.23 MDL Number: MFCD00063917,MFCD00001460,MFCD00216473 InChI Key: LNGAGQAGYITKCW-UHFFFAOYSA-N Synonym: dimethyl 1,4-cyclohexanedicarboxylate,dimethyl trans-1,4-cyclohexanedicarboxylate,1r,4r-dimethyl cyclohexane-1,4-dicarboxylate,cis-dimethyl cyclohexane-1,4-dicarboxylate,dimethyl trans-cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester,dimethyl hexahydroterephthalate,trans-dimethyl cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester, trans,unii-ys87mds0zv PubChem CID: 7198 IUPAC Name: dimethyl cyclohexane-1,4-dicarboxylate SMILES: COC(=O)C1CCC(CC1)C(=O)OC
| PubChem CID | 7198 |
|---|---|
| CAS | 3399-22-2 |
| Molecular Weight (g/mol) | 200.23 |
| MDL Number | MFCD00063917,MFCD00001460,MFCD00216473 |
| SMILES | COC(=O)C1CCC(CC1)C(=O)OC |
| Synonym | dimethyl 1,4-cyclohexanedicarboxylate,dimethyl trans-1,4-cyclohexanedicarboxylate,1r,4r-dimethyl cyclohexane-1,4-dicarboxylate,cis-dimethyl cyclohexane-1,4-dicarboxylate,dimethyl trans-cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester,dimethyl hexahydroterephthalate,trans-dimethyl cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester, trans,unii-ys87mds0zv |
| IUPAC Name | dimethyl cyclohexane-1,4-dicarboxylate |
| InChI Key | LNGAGQAGYITKCW-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
Methyl 2,6-dichlorophenylacetate, 99%
CAS: 54551-83-6 Molecular Formula: C9H8Cl2O2 Molecular Weight (g/mol): 219.07 MDL Number: MFCD00191640 InChI Key: FCWRUYPZZJPCCG-UHFFFAOYSA-N Synonym: methyl 2,6-dichlorophenylacetate,methyl 2-2,6-dichlorophenyl acetate,2,6-dichlorophenylacetic acid methyl ester,benzeneacetic acid,2,6-dichloro-, methyl ester,benzeneacetic acid, 2,6-dichloro-, methyl ester,acmc-209lhf,methyl2,6-dichlorophenylacetate,guanfacine methyl ester impurity,methyl 2,6-dichlorophenyl acetate,2,6-dichloro-phenylacetic acid methyl ester PubChem CID: 2734107 IUPAC Name: methyl 2-(2,6-dichlorophenyl)acetate SMILES: COC(=O)CC1=C(C=CC=C1Cl)Cl
| PubChem CID | 2734107 |
|---|---|
| CAS | 54551-83-6 |
| Molecular Weight (g/mol) | 219.07 |
| MDL Number | MFCD00191640 |
| SMILES | COC(=O)CC1=C(C=CC=C1Cl)Cl |
| Synonym | methyl 2,6-dichlorophenylacetate,methyl 2-2,6-dichlorophenyl acetate,2,6-dichlorophenylacetic acid methyl ester,benzeneacetic acid,2,6-dichloro-, methyl ester,benzeneacetic acid, 2,6-dichloro-, methyl ester,acmc-209lhf,methyl2,6-dichlorophenylacetate,guanfacine methyl ester impurity,methyl 2,6-dichlorophenyl acetate,2,6-dichloro-phenylacetic acid methyl ester |
| IUPAC Name | methyl 2-(2,6-dichlorophenyl)acetate |
| InChI Key | FCWRUYPZZJPCCG-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O2 |
Propyl p-toluenesulfonate, 98+%
CAS: 599-91-7 Molecular Formula: C10H14O3S Molecular Weight (g/mol): 214.28 MDL Number: MFCD00059244 InChI Key: JTTWNTXHFYNETH-UHFFFAOYSA-N Synonym: propyl p-toluenesulfonate,propyl tosylate,benzenesulfonic acid, 4-methyl-, propyl ester,p-toluenesulfonic acid, propyl ester,propyl toluene-4-sulphonate,ccris 9150,p-toluenesulfonic acid n-propyl ester,p-toluenesulfonic acid propyl ester,propanol tosylate,acmc-209mha PubChem CID: 69035 IUPAC Name: propyl 4-methylbenzenesulfonate SMILES: CCCOS(=O)(=O)C1=CC=C(C=C1)C
| PubChem CID | 69035 |
|---|---|
| CAS | 599-91-7 |
| Molecular Weight (g/mol) | 214.28 |
| MDL Number | MFCD00059244 |
| SMILES | CCCOS(=O)(=O)C1=CC=C(C=C1)C |
| Synonym | propyl p-toluenesulfonate,propyl tosylate,benzenesulfonic acid, 4-methyl-, propyl ester,p-toluenesulfonic acid, propyl ester,propyl toluene-4-sulphonate,ccris 9150,p-toluenesulfonic acid n-propyl ester,p-toluenesulfonic acid propyl ester,propanol tosylate,acmc-209mha |
| IUPAC Name | propyl 4-methylbenzenesulfonate |
| InChI Key | JTTWNTXHFYNETH-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3S |