Carboxylic acids and derivatives
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Edetate Disodium, Dihydrate, BiotechGrade, 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-Cyclohexene-1-carboxylic acid, 98%
CAS: 4771-80-6 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00013781 InChI Key: VUSWCWPCANWBFG-UHFFFAOYSA-N Synonym: 3-cyclohexene-1-carboxylic acid,3-cyclohexenecarboxylic acid,cyclohex-3-enecarboxylic acid,1,2,3,6-tetrahydrobenzoic acid,1-cyclohexene-4-carboxylic acid,delta3-cyclohexenylcarboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova,3-cyclohexene carboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova czech,.delta.3-cyclohexenecarboxylic acid PubChem CID: 20903 IUPAC Name: cyclohex-3-ene-1-carboxylic acid SMILES: C1CC(CC=C1)C(=O)O
| PubChem CID | 20903 |
|---|---|
| CAS | 4771-80-6 |
| Molecular Weight (g/mol) | 126.155 |
| MDL Number | MFCD00013781 |
| SMILES | C1CC(CC=C1)C(=O)O |
| Synonym | 3-cyclohexene-1-carboxylic acid,3-cyclohexenecarboxylic acid,cyclohex-3-enecarboxylic acid,1,2,3,6-tetrahydrobenzoic acid,1-cyclohexene-4-carboxylic acid,delta3-cyclohexenylcarboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova,3-cyclohexene carboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova czech,.delta.3-cyclohexenecarboxylic acid |
| IUPAC Name | cyclohex-3-ene-1-carboxylic acid |
| InChI Key | VUSWCWPCANWBFG-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
Sodium Ascorbate, Powder, USP, 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 |
Methyl trimethylacetate, 99%
CAS: 598-98-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008843 InChI Key: CNMFHDIDIMZHKY-UHFFFAOYSA-N Synonym: methyl pivalate,methyl trimethylacetate,propanoic acid, 2,2-dimethyl-, methyl ester,pivalic acid, methyl ester,unii-bfx9w386ox,bfx9w386ox,pivalic acid methyl ester,methyl pivaloate,methyltrimethylacetate,tert-c4h9cooch3 PubChem CID: 69027 IUPAC Name: methyl 2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)OC
| PubChem CID | 69027 |
|---|---|
| CAS | 598-98-1 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00008843 |
| SMILES | CC(C)(C)C(=O)OC |
| Synonym | methyl pivalate,methyl trimethylacetate,propanoic acid, 2,2-dimethyl-, methyl ester,pivalic acid, methyl ester,unii-bfx9w386ox,bfx9w386ox,pivalic acid methyl ester,methyl pivaloate,methyltrimethylacetate,tert-c4h9cooch3 |
| IUPAC Name | methyl 2,2-dimethylpropanoate |
| InChI Key | CNMFHDIDIMZHKY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Terephthalic dihydrazide, 95%
CAS: 136-64-1 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00014762 InChI Key: ALHNLFMSAXZKRC-UHFFFAOYSA-N Synonym: terephthalic dihydrazide,terephthalohydrazide,terephthalic acid dihydrazide,terephthalic hydrazide,1,4-benzenedicarboxylic acid, dihydrazide,terephthaloyl dihydrazide,terephthalic acid bishydrazide,terephthalic acid, dihydrazide,terephthalhydrazide,terephthalicdihydrazide PubChem CID: 67294 IUPAC Name: benzene-1,4-dicarbohydrazide SMILES: NNC(=O)C1=CC=C(C=C1)C(=O)NN
| PubChem CID | 67294 |
|---|---|
| CAS | 136-64-1 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00014762 |
| SMILES | NNC(=O)C1=CC=C(C=C1)C(=O)NN |
| Synonym | terephthalic dihydrazide,terephthalohydrazide,terephthalic acid dihydrazide,terephthalic hydrazide,1,4-benzenedicarboxylic acid, dihydrazide,terephthaloyl dihydrazide,terephthalic acid bishydrazide,terephthalic acid, dihydrazide,terephthalhydrazide,terephthalicdihydrazide |
| IUPAC Name | benzene-1,4-dicarbohydrazide |
| InChI Key | ALHNLFMSAXZKRC-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |
(-)-Epigallocatechin Gallate, Spectrum™ Chemical
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2-(2-Cyanophenoxy)acetamide, 98%
CAS: 54802-12-9 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD00297091 InChI Key: RYOYNMJXEHNYAG-UHFFFAOYSA-N Synonym: 2-2-cyanophenoxy acetamide,acetamide, 2-2-cyanophenoxy,2-cyanophenoxyacetamide PubChem CID: 12353988 IUPAC Name: 2-(2-cyanophenoxy)acetamide SMILES: C1=CC=C(C(=C1)C#N)OCC(=O)N
| PubChem CID | 12353988 |
|---|---|
| CAS | 54802-12-9 |
| Molecular Weight (g/mol) | 176.175 |
| MDL Number | MFCD00297091 |
| SMILES | C1=CC=C(C(=C1)C#N)OCC(=O)N |
| Synonym | 2-2-cyanophenoxy acetamide,acetamide, 2-2-cyanophenoxy,2-cyanophenoxyacetamide |
| IUPAC Name | 2-(2-cyanophenoxy)acetamide |
| InChI Key | RYOYNMJXEHNYAG-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O2 |
Sodium Citrate, Anhydrous, Powder, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 68-04-2 Molecular Formula: C6H5Na3O7 Molecular Weight (g/mol): 258.07 MDL Number: MFCD00012462 InChI Key: HRXKRNGNAMMEHJ-UHFFFAOYSA-K IUPAC Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylate SMILES: [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| CAS | 68-04-2 |
|---|---|
| Molecular Weight (g/mol) | 258.07 |
| MDL Number | MFCD00012462 |
| SMILES | [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| IUPAC Name | trisodium 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | HRXKRNGNAMMEHJ-UHFFFAOYSA-K |
| Molecular Formula | C6H5Na3O7 |
Acetohydrazide, Spectrum™ Chemical
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CAS: 1068-57-1
| CAS | 1068-57-1 |
|---|
Cyanoacetic acid, 97%
CAS: 372-09-8 Molecular Formula: C3H3NO2 Molecular Weight (g/mol): 85.06 InChI Key: MLIREBYILWEBDM-UHFFFAOYSA-N Synonym: cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova PubChem CID: 9740 ChEBI: CHEBI:51889 IUPAC Name: 2-cyanoacetic acid SMILES: C(C#N)C(=O)O
| PubChem CID | 9740 |
|---|---|
| CAS | 372-09-8 |
| Molecular Weight (g/mol) | 85.06 |
| ChEBI | CHEBI:51889 |
| SMILES | C(C#N)C(=O)O |
| Synonym | cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova |
| IUPAC Name | 2-cyanoacetic acid |
| InChI Key | MLIREBYILWEBDM-UHFFFAOYSA-N |
| Molecular Formula | C3H3NO2 |
Tamoxifen Citrate, USP, 99-101%, Spectrum™ Chemical
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CAS: 54965-24-1 Molecular Formula: C32H37NO8 Molecular Weight (g/mol): 563.65 MDL Number: MFCD00058321 InChI Key: FQZYTYWMLGAPFJ-OQKDUQJOSA-N IUPAC Name: (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| CAS | 54965-24-1 |
|---|---|
| Molecular Weight (g/mol) | 563.65 |
| MDL Number | MFCD00058321 |
| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| IUPAC Name | (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
| Molecular Formula | C32H37NO8 |
Ethyl 5-methylindole-2-carboxylate, 98%
CAS: 16382-15-3 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00022703 InChI Key: KMVFKXFOPNKHEM-UHFFFAOYSA-N Synonym: ethyl 5-methylindole-2-carboxylate,2-carbethoxy-5-methylindole,5-methylindole-2-carboxylic acid ethyl ester,5-methyl-1h-indole-2-carboxylic acid ethyl ester,pubchem7940,acmc-1brcs,5-methyl-2-ethoxycarbonyl indole,ethyl 5-methyl-2-indolecarboxylate,5-methyl-1h-indole-2-carboxylic acid, ethyl ester PubChem CID: 232919 IUPAC Name: ethyl 5-methyl-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C
| PubChem CID | 232919 |
|---|---|
| CAS | 16382-15-3 |
| Molecular Weight (g/mol) | 203.241 |
| MDL Number | MFCD00022703 |
| SMILES | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C |
| Synonym | ethyl 5-methylindole-2-carboxylate,2-carbethoxy-5-methylindole,5-methylindole-2-carboxylic acid ethyl ester,5-methyl-1h-indole-2-carboxylic acid ethyl ester,pubchem7940,acmc-1brcs,5-methyl-2-ethoxycarbonyl indole,ethyl 5-methyl-2-indolecarboxylate,5-methyl-1h-indole-2-carboxylic acid, ethyl ester |
| IUPAC Name | ethyl 5-methyl-1H-indole-2-carboxylate |
| InChI Key | KMVFKXFOPNKHEM-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO2 |
N-(Hydroxymethyl)trifluoroacetamide, 98+%
CAS: 50667-69-1 Molecular Formula: C3H4F3NO2 Molecular Weight (g/mol): 143.065 MDL Number: MFCD00014416 InChI Key: URUWXKFAEKTWKG-UHFFFAOYSA-N Synonym: 2,2,2-trifluoro-n-hydroxymethyl acetamide,n-hydroxymethyl trifluoroacetamide,n-hydroxymethyltrifluoroacetamide,acetamide, 2,2,2-trifluoro-n-hydroxymethyl,acmc-20akaf,trifluoroacetamidomethanol,n-hydroxymethyl fluoroacetamide,n-hydroxymethyl-trifluoroacetamide,n-hydroxy methyl trifluoro acetamide PubChem CID: 3084931 IUPAC Name: 2,2,2-trifluoro-N-(hydroxymethyl)acetamide SMILES: C(NC(=O)C(F)(F)F)O
| PubChem CID | 3084931 |
|---|---|
| CAS | 50667-69-1 |
| Molecular Weight (g/mol) | 143.065 |
| MDL Number | MFCD00014416 |
| SMILES | C(NC(=O)C(F)(F)F)O |
| Synonym | 2,2,2-trifluoro-n-hydroxymethyl acetamide,n-hydroxymethyl trifluoroacetamide,n-hydroxymethyltrifluoroacetamide,acetamide, 2,2,2-trifluoro-n-hydroxymethyl,acmc-20akaf,trifluoroacetamidomethanol,n-hydroxymethyl fluoroacetamide,n-hydroxymethyl-trifluoroacetamide,n-hydroxy methyl trifluoro acetamide |
| IUPAC Name | 2,2,2-trifluoro-N-(hydroxymethyl)acetamide |
| InChI Key | URUWXKFAEKTWKG-UHFFFAOYSA-N |
| Molecular Formula | C3H4F3NO2 |
Propionic Acid, FCC, 99.5-100.5%, Spectrum™ Chemical
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CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N IUPAC Name: propanoic acid SMILES: CCC(O)=O
| CAS | 79-09-4 |
|---|---|
| Molecular Weight (g/mol) | 74.08 |
| SMILES | CCC(O)=O |
| IUPAC Name | propanoic acid |
| InChI Key | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
Ethyl cyclohexanecarboxylate, 98+%
CAS: 3289-28-9 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.225 MDL Number: MFCD00041734 InChI Key: JJOYCHKVKWDMEA-UHFFFAOYSA-N Synonym: cyclohexanecarboxylic acid, ethyl ester,ethyl cyclohexylformate,ethyl hexahydrobenzoate,cyclohexanecarboxylic acid ethyl ester,ethoxycarbonylcyclohexane,ethyl cyclohexylcarboxylate,ethyl cyclohexanoate,fema no. 3544,ethyl cyclohexylmethanoate,ethyl cyclohexanocarboxylate PubChem CID: 18686 IUPAC Name: ethyl cyclohexanecarboxylate SMILES: CCOC(=O)C1CCCCC1
| PubChem CID | 18686 |
|---|---|
| CAS | 3289-28-9 |
| Molecular Weight (g/mol) | 156.225 |
| MDL Number | MFCD00041734 |
| SMILES | CCOC(=O)C1CCCCC1 |
| Synonym | cyclohexanecarboxylic acid, ethyl ester,ethyl cyclohexylformate,ethyl hexahydrobenzoate,cyclohexanecarboxylic acid ethyl ester,ethoxycarbonylcyclohexane,ethyl cyclohexylcarboxylate,ethyl cyclohexanoate,fema no. 3544,ethyl cyclohexylmethanoate,ethyl cyclohexanocarboxylate |
| IUPAC Name | ethyl cyclohexanecarboxylate |
| InChI Key | JJOYCHKVKWDMEA-UHFFFAOYSA-N |
| Molecular Formula | C9H16O2 |