Carboxylic acids and derivatives
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Edetate Disodium, Dihydrate, USP, 99-101%, Spectrum™ Chemical
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CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L IUPAC Name: disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| CAS | 6381-92-6 |
|---|---|
| Molecular Weight (g/mol) | 372.24 |
| MDL Number | MFCD00150037,MFCD00003541 |
| SMILES | O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
| IUPAC Name | disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate |
| InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
| Molecular Formula | C10H18N2Na2O10 |
3-(4-Nitrophenyl)propionic acid, 96%
CAS: 16642-79-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00126834 InChI Key: VZOPVJNBOQOLPN-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid PubChem CID: 85526 IUPAC Name: 3-(4-nitrophenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 85526 |
|---|---|
| CAS | 16642-79-8 |
| Molecular Weight (g/mol) | 195.17 |
| MDL Number | MFCD00126834 |
| SMILES | OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid |
| IUPAC Name | 3-(4-nitrophenyl)propanoic acid |
| InChI Key | VZOPVJNBOQOLPN-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
Ethyl trimethylacetate, 99%
CAS: 3938-95-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009129 InChI Key: HHEIMYAXCOIQCJ-UHFFFAOYSA-N Synonym: ethyl trimethylacetate,ethyl pivalate,propanoic acid, 2,2-dimethyl-, ethyl ester,ethyl 2,2-dimethylpropionate,pivalic acid, ethyl ester,ethylpivalate,trimethylacetic acid, ethyl ester,unii-738s62lzwy,ethyltrimethylacetate,2,2-dimethylpropanoic acid ethyl ester PubChem CID: 19838 IUPAC Name: ethyl 2,2-dimethylpropanoate SMILES: CCOC(=O)C(C)(C)C
| PubChem CID | 19838 |
|---|---|
| CAS | 3938-95-2 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00009129 |
| SMILES | CCOC(=O)C(C)(C)C |
| Synonym | ethyl trimethylacetate,ethyl pivalate,propanoic acid, 2,2-dimethyl-, ethyl ester,ethyl 2,2-dimethylpropionate,pivalic acid, ethyl ester,ethylpivalate,trimethylacetic acid, ethyl ester,unii-738s62lzwy,ethyltrimethylacetate,2,2-dimethylpropanoic acid ethyl ester |
| IUPAC Name | ethyl 2,2-dimethylpropanoate |
| InChI Key | HHEIMYAXCOIQCJ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
2-Ethylhexyl methacrylate, 98%, stab. with 4-methoxyphenol
CAS: 688-84-6 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00009494 InChI Key: WDQMWEYDKDCEHT-UHFFFAOYSA-N Synonym: 2-ethylhexyl methacrylate,2-ethyl-1-hexyl methacrylate,2-ethylhexyl methacryate,2-propenoic acid, 2-methyl-, 2-ethylhexyl ester,methacrylic acid 2-ethylhexyl ester,methacrylic acid, 2-ethylhexyl ester,methacrylate, 2-ethylisohexy,2-ethylhexylmethacrylate,dsstox_cid_7293,dsstox_rid_78391 PubChem CID: 12713 IUPAC Name: 2-ethylhexyl 2-methylprop-2-enoate SMILES: CCCCC(CC)COC(=O)C(=C)C
| PubChem CID | 12713 |
|---|---|
| CAS | 688-84-6 |
| Molecular Weight (g/mol) | 198.306 |
| MDL Number | MFCD00009494 |
| SMILES | CCCCC(CC)COC(=O)C(=C)C |
| Synonym | 2-ethylhexyl methacrylate,2-ethyl-1-hexyl methacrylate,2-ethylhexyl methacryate,2-propenoic acid, 2-methyl-, 2-ethylhexyl ester,methacrylic acid 2-ethylhexyl ester,methacrylic acid, 2-ethylhexyl ester,methacrylate, 2-ethylisohexy,2-ethylhexylmethacrylate,dsstox_cid_7293,dsstox_rid_78391 |
| IUPAC Name | 2-ethylhexyl 2-methylprop-2-enoate |
| InChI Key | WDQMWEYDKDCEHT-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
Methyl 4-aminobenzoate, 98%
CAS: 619-45-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007891 InChI Key: LZXXNPOYQCLXRS-UHFFFAOYSA-N Synonym: 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester PubChem CID: 12082 IUPAC Name: methyl 4-aminobenzoate SMILES: COC(=O)C1=CC=C(C=C1)N
| PubChem CID | 12082 |
|---|---|
| CAS | 619-45-4 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00007891 |
| SMILES | COC(=O)C1=CC=C(C=C1)N |
| Synonym | 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester |
| IUPAC Name | methyl 4-aminobenzoate |
| InChI Key | LZXXNPOYQCLXRS-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Rubidium formate hydrate, 99.8% (metals basis), Thermo Scientific Chemicals
CAS: 3495-35-0 Molecular Formula: CHO2Rb Molecular Weight (g/mol): 130.49 MDL Number: MFCD00054359 InChI Key: ZIMBPNXOLRMVGV-UHFFFAOYSA-M Synonym: rubidium formate,formic acid, rubidium salt,formic acid rubidium salt,64-18-6 parent,formic acid, rubidium salt 1:1,rubidiumformiat,rubidium 1+ formira,rubidium 1+ formate,rubidium 1+ ion formate,formic acid, rubidiumsalt 1:1 PubChem CID: 23673641 IUPAC Name: rubidium(1+) formate SMILES: [Rb+].[O-]C=O
| PubChem CID | 23673641 |
|---|---|
| CAS | 3495-35-0 |
| Molecular Weight (g/mol) | 130.49 |
| MDL Number | MFCD00054359 |
| SMILES | [Rb+].[O-]C=O |
| Synonym | rubidium formate,formic acid, rubidium salt,formic acid rubidium salt,64-18-6 parent,formic acid, rubidium salt 1:1,rubidiumformiat,rubidium 1+ formira,rubidium 1+ formate,rubidium 1+ ion formate,formic acid, rubidiumsalt 1:1 |
| IUPAC Name | rubidium(1+) formate |
| InChI Key | ZIMBPNXOLRMVGV-UHFFFAOYSA-M |
| Molecular Formula | CHO2Rb |
Acetoxyacetone, 97%
CAS: 592-20-1 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 MDL Number: MFCD00042848 InChI Key: DBERHVIZRVGDFO-UHFFFAOYSA-N Synonym: acetoxyacetone,acetonyl acetate,acetol acetate,2-propanone, 1-acetyloxy,acetoxypropanone,o-acetylacetol,1-acetoxyacetone,acetylmethyl acetate,acetoxy-2-propanone,1-acetoxy-2-propanone PubChem CID: 11593 IUPAC Name: 2-oxopropyl acetate SMILES: CC(=O)COC(=O)C
| PubChem CID | 11593 |
|---|---|
| CAS | 592-20-1 |
| Molecular Weight (g/mol) | 116.116 |
| MDL Number | MFCD00042848 |
| SMILES | CC(=O)COC(=O)C |
| Synonym | acetoxyacetone,acetonyl acetate,acetol acetate,2-propanone, 1-acetyloxy,acetoxypropanone,o-acetylacetol,1-acetoxyacetone,acetylmethyl acetate,acetoxy-2-propanone,1-acetoxy-2-propanone |
| IUPAC Name | 2-oxopropyl acetate |
| InChI Key | DBERHVIZRVGDFO-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
2,2,3,3,4,4,4-Heptafluorobutyl methacrylate, 97%, stab.
CAS: 13695-31-3 Molecular Formula: C8H7F7O2 Molecular Weight (g/mol): 268.131 MDL Number: MFCD00039251 InChI Key: VIEHKBXCWMMOOU-UHFFFAOYSA-N Synonym: heptafluorobutyl methacrylate,2,2,3,3,4,4,4-heptafluorobutyl methacrylate,1h,1h-heptafluorobutyl methacrylate,1h,1h-heptafluoro-n-butyl methacrylate,2-propenoic acid, 2-methyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester,methacrylic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester,methacrylic acid 2,2,3,3,4,4,4-heptafluorobutyl ester,heptafluoropropylmethyl methacrylate,2,2,3,3,4,4,4-heptafluorobutyl 2-methylacrylate # PubChem CID: 83666 IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F
| PubChem CID | 83666 |
|---|---|
| CAS | 13695-31-3 |
| Molecular Weight (g/mol) | 268.131 |
| MDL Number | MFCD00039251 |
| SMILES | CC(=C)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F |
| Synonym | heptafluorobutyl methacrylate,2,2,3,3,4,4,4-heptafluorobutyl methacrylate,1h,1h-heptafluorobutyl methacrylate,1h,1h-heptafluoro-n-butyl methacrylate,2-propenoic acid, 2-methyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester,methacrylic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester,methacrylic acid 2,2,3,3,4,4,4-heptafluorobutyl ester,heptafluoropropylmethyl methacrylate,2,2,3,3,4,4,4-heptafluorobutyl 2-methylacrylate # |
| IUPAC Name | 2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate |
| InChI Key | VIEHKBXCWMMOOU-UHFFFAOYSA-N |
| Molecular Formula | C8H7F7O2 |
Sodium 4-hydroxybenzoate, 99+%
CAS: 114-63-6 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.10 MDL Number: MFCD00016530 InChI Key: ZLVSYODPTJZFMK-UHFFFAOYSA-M Synonym: sodium 4-hydroxybenzoate,sodium p-hydroxybenzoate,4-hydroxybenzoic acid sodium salt,sodium paraben,benzoic acid, 4-hydroxy-, monosodium salt,p-hydroxybenzoic acid sodium salt,monosodium p-hydroxybenzoate,monosodium 4-hydroxybenzoate,benzoic acid, p-hydroxy-, sodium salt,benzoic acid, 4-hydroxy-, sodium salt 1:1 PubChem CID: 16219477 SMILES: [Na+].OC1=CC=C(C=C1)C([O-])=O
| PubChem CID | 16219477 |
|---|---|
| CAS | 114-63-6 |
| Molecular Weight (g/mol) | 160.10 |
| MDL Number | MFCD00016530 |
| SMILES | [Na+].OC1=CC=C(C=C1)C([O-])=O |
| Synonym | sodium 4-hydroxybenzoate,sodium p-hydroxybenzoate,4-hydroxybenzoic acid sodium salt,sodium paraben,benzoic acid, 4-hydroxy-, monosodium salt,p-hydroxybenzoic acid sodium salt,monosodium p-hydroxybenzoate,monosodium 4-hydroxybenzoate,benzoic acid, p-hydroxy-, sodium salt,benzoic acid, 4-hydroxy-, sodium salt 1:1 |
| InChI Key | ZLVSYODPTJZFMK-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO3 |
Triethyl methanetricarboxylate, 98%
CAS: 6279-86-3 Molecular Formula: C10H16O6 Molecular Weight (g/mol): 232.23 InChI Key: AGZPNUZBDCYTBB-UHFFFAOYSA-N Synonym: tricarbethoxymethane,triethylmethanetricarboxylate,methanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-malonic acid diethyl ester,methanetricarboxylic acid triethyl ester,carboxymalonic acid triethyl ester,diethyl 2-ethoxycarbonyl malonate,diethyl 2-ethoxycarbonyl propane-1,3-dioate,pubchem3106,triethoxycarbonylmethane PubChem CID: 80471 IUPAC Name: triethyl methanetricarboxylate SMILES: CCOC(=O)C(C(=O)OCC)C(=O)OCC
| PubChem CID | 80471 |
|---|---|
| CAS | 6279-86-3 |
| Molecular Weight (g/mol) | 232.23 |
| SMILES | CCOC(=O)C(C(=O)OCC)C(=O)OCC |
| Synonym | tricarbethoxymethane,triethylmethanetricarboxylate,methanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-malonic acid diethyl ester,methanetricarboxylic acid triethyl ester,carboxymalonic acid triethyl ester,diethyl 2-ethoxycarbonyl malonate,diethyl 2-ethoxycarbonyl propane-1,3-dioate,pubchem3106,triethoxycarbonylmethane |
| IUPAC Name | triethyl methanetricarboxylate |
| InChI Key | AGZPNUZBDCYTBB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O6 |
1-Methylindazole-3-carboxylic acid, 97%
CAS: 50890-83-0 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD00272569 InChI Key: OVVDFORZEGKEJM-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-3-carboxylic acid,n-methyl-indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylic acid,1h-indazole-3-carboxylic acid, 1-methyl,1-methyl-indazole-3-carboxylic acid,n-methylindazole-3-carboxylic acid,1-methylindozole-3-carboxylic acid,n-methyl-indozole-3-carboxylic acid,n-methyl-1h indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylicacid PubChem CID: 689105 IUPAC Name: 1-methylindazole-3-carboxylic acid SMILES: CN1C2=CC=CC=C2C(=N1)C(=O)O
| PubChem CID | 689105 |
|---|---|
| CAS | 50890-83-0 |
| Molecular Weight (g/mol) | 176.175 |
| MDL Number | MFCD00272569 |
| SMILES | CN1C2=CC=CC=C2C(=N1)C(=O)O |
| Synonym | 1-methyl-1h-indazole-3-carboxylic acid,n-methyl-indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylic acid,1h-indazole-3-carboxylic acid, 1-methyl,1-methyl-indazole-3-carboxylic acid,n-methylindazole-3-carboxylic acid,1-methylindozole-3-carboxylic acid,n-methyl-indozole-3-carboxylic acid,n-methyl-1h indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylicacid |
| IUPAC Name | 1-methylindazole-3-carboxylic acid |
| InChI Key | OVVDFORZEGKEJM-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O2 |
N-(2-Hydroxyethyl)formamide, 97%
CAS: 693-06-1 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.09 MDL Number: MFCD00021040 InChI Key: BAMUPQJDKBGDPU-UHFFFAOYSA-N Synonym: n-2-hydroxyethyl formamide,formamide, n-2-hydroxyethyl,n-formylethanolamine PubChem CID: 69657 IUPAC Name: N-(2-hydroxyethyl)formamide SMILES: OCCNC=O
| PubChem CID | 69657 |
|---|---|
| CAS | 693-06-1 |
| Molecular Weight (g/mol) | 89.09 |
| MDL Number | MFCD00021040 |
| SMILES | OCCNC=O |
| Synonym | n-2-hydroxyethyl formamide,formamide, n-2-hydroxyethyl,n-formylethanolamine |
| IUPAC Name | N-(2-hydroxyethyl)formamide |
| InChI Key | BAMUPQJDKBGDPU-UHFFFAOYSA-N |
| Molecular Formula | C3H7NO2 |
Tricarballylic acid, 98%
CAS: 99-14-9 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00002723 InChI Key: KQTIIICEAUMSDG-UHFFFAOYSA-N Synonym: tricarballylic acid,1,2,3-propanetricarboxylic acid,carballylic acid,tricarballylate,beta-carboxyglutaric acid,propane 1,2,3-tricarboxylic acid,unii-ra5qh2j020,3-carboxyglutaric acid,.beta.-carboxyglutaric acid,1,2,3-propanetricarboxylicacid PubChem CID: 14925 ChEBI: CHEBI:45969 IUPAC Name: propane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(CC(O)=O)C(O)=O
| PubChem CID | 14925 |
|---|---|
| CAS | 99-14-9 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:45969 |
| MDL Number | MFCD00002723 |
| SMILES | OC(=O)CC(CC(O)=O)C(O)=O |
| Synonym | tricarballylic acid,1,2,3-propanetricarboxylic acid,carballylic acid,tricarballylate,beta-carboxyglutaric acid,propane 1,2,3-tricarboxylic acid,unii-ra5qh2j020,3-carboxyglutaric acid,.beta.-carboxyglutaric acid,1,2,3-propanetricarboxylicacid |
| IUPAC Name | propane-1,2,3-tricarboxylic acid |
| InChI Key | KQTIIICEAUMSDG-UHFFFAOYSA-N |
| Molecular Formula | C6H8O6 |
Rubidium acetate, 99.8% (metals basis)
CAS: 563-67-7 Molecular Formula: C2H3O2Rb Molecular Weight (g/mol): 144.51 MDL Number: MFCD00013058 InChI Key: FOGKDYADEBOSPL-UHFFFAOYSA-M Synonym: rubidium acetate,acetic acid, rubidium salt,unii-86h795sz6d,acetic acid, rubidium salt 1:1,acetic acid rubidium,rubidio acetate,acmc-1aks3,rubidium 1+ acetate ion,rubidium 1+ ion acetate,c2h3o2.rb PubChem CID: 23673628 IUPAC Name: rubidium(1+);acetate SMILES: [Rb+].CC([O-])=O
| PubChem CID | 23673628 |
|---|---|
| CAS | 563-67-7 |
| Molecular Weight (g/mol) | 144.51 |
| MDL Number | MFCD00013058 |
| SMILES | [Rb+].CC([O-])=O |
| Synonym | rubidium acetate,acetic acid, rubidium salt,unii-86h795sz6d,acetic acid, rubidium salt 1:1,acetic acid rubidium,rubidio acetate,acmc-1aks3,rubidium 1+ acetate ion,rubidium 1+ ion acetate,c2h3o2.rb |
| IUPAC Name | rubidium(1+);acetate |
| InChI Key | FOGKDYADEBOSPL-UHFFFAOYSA-M |
| Molecular Formula | C2H3O2Rb |
4-(Cyanoacetyl)morpholine, 98%
CAS: 15029-32-0 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.169 MDL Number: MFCD00023353 InChI Key: AUZPMUJGZZSMCP-UHFFFAOYSA-N Synonym: 3-morpholino-3-oxopropanenitrile,4-cyanoacetyl morpholine,morpholine, 4-cyanoacetyl,n-cyanoacetylmorpholine,3-morpholin-4-yl-3-oxopropanenitrile,4-cyanoacetylmorpholine,3-morpholin-4-yl-3-oxo-propionitrile,3-4-morpholinyl-3-oxopropanenitrile,morpholinocarbonyl acetonitrile,4-morpholinepropanenitrile, .beta.-oxo PubChem CID: 229279 IUPAC Name: 3-morpholin-4-yl-3-oxopropanenitrile SMILES: C1COCCN1C(=O)CC#N
| PubChem CID | 229279 |
|---|---|
| CAS | 15029-32-0 |
| Molecular Weight (g/mol) | 154.169 |
| MDL Number | MFCD00023353 |
| SMILES | C1COCCN1C(=O)CC#N |
| Synonym | 3-morpholino-3-oxopropanenitrile,4-cyanoacetyl morpholine,morpholine, 4-cyanoacetyl,n-cyanoacetylmorpholine,3-morpholin-4-yl-3-oxopropanenitrile,4-cyanoacetylmorpholine,3-morpholin-4-yl-3-oxo-propionitrile,3-4-morpholinyl-3-oxopropanenitrile,morpholinocarbonyl acetonitrile,4-morpholinepropanenitrile, .beta.-oxo |
| IUPAC Name | 3-morpholin-4-yl-3-oxopropanenitrile |
| InChI Key | AUZPMUJGZZSMCP-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |