Carboxylic acids and derivatives
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Trifluoroacetic acid, sodium salt, 97%
CAS: 2923-18-4 Molecular Formula: C2F3NaO2 Molecular Weight (g/mol): 136.01 MDL Number: MFCD00013217 InChI Key: UYCAUPASBSROMS-UHFFFAOYSA-M Synonym: sodium trifluoroacetate,trifluoroacetic acid sodium salt,acetic acid, trifluoro-, sodium salt,sodium perfluoroacetate,trifluoroacetate sodium,sodium 2,2,2-trifluoroacetate,trifluoroacetic acid sodium,trifluoroacetic acid,sodium salt,acetic acid, 2,2,2-trifluoro-, sodium salt 1:1,trifluoroacetic acid, sodium salt PubChem CID: 517019 IUPAC Name: sodium;2,2,2-trifluoroacetate SMILES: [Na+].[O-]C(=O)C(F)(F)F
| PubChem CID | 517019 |
|---|---|
| CAS | 2923-18-4 |
| Molecular Weight (g/mol) | 136.01 |
| MDL Number | MFCD00013217 |
| SMILES | [Na+].[O-]C(=O)C(F)(F)F |
| Synonym | sodium trifluoroacetate,trifluoroacetic acid sodium salt,acetic acid, trifluoro-, sodium salt,sodium perfluoroacetate,trifluoroacetate sodium,sodium 2,2,2-trifluoroacetate,trifluoroacetic acid sodium,trifluoroacetic acid,sodium salt,acetic acid, 2,2,2-trifluoro-, sodium salt 1:1,trifluoroacetic acid, sodium salt |
| IUPAC Name | sodium;2,2,2-trifluoroacetate |
| InChI Key | UYCAUPASBSROMS-UHFFFAOYSA-M |
| Molecular Formula | C2F3NaO2 |
Potassium trimethylacetate, 95%
CAS: 19455-23-3 Molecular Formula: C5H9KO2 Molecular Weight (g/mol): 140.223 MDL Number: MFCD00671345 InChI Key: WFMNHCSATCWAAQ-UHFFFAOYSA-M Synonym: potassium pivalate,potassium trimethylacetate,pivalic acid potassium salt,potassium 2,2-dimethylpropionate,trimethylacetic acid potassium salt,2,2-dimethylpropionic acid potassium salt PubChem CID: 23662159 IUPAC Name: potassium;2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)[O-].[K+]
| PubChem CID | 23662159 |
|---|---|
| CAS | 19455-23-3 |
| Molecular Weight (g/mol) | 140.223 |
| MDL Number | MFCD00671345 |
| SMILES | CC(C)(C)C(=O)[O-].[K+] |
| Synonym | potassium pivalate,potassium trimethylacetate,pivalic acid potassium salt,potassium 2,2-dimethylpropionate,trimethylacetic acid potassium salt,2,2-dimethylpropionic acid potassium salt |
| IUPAC Name | potassium;2,2-dimethylpropanoate |
| InChI Key | WFMNHCSATCWAAQ-UHFFFAOYSA-M |
| Molecular Formula | C5H9KO2 |
L(+)-Tartaric acid diammonium salt, 99%
CAS: 3164-29-2 Molecular Formula: C4H12N2O6 Molecular Weight (g/mol): 184.15 MDL Number: MFCD00013073 InChI Key: NGPGDYLVALNKEG-OLXYHTOASA-N Synonym: ammonium d-tartrate,diammonium l-+-tartrate,l-tartaric acid, ammonium salt,unii-ji8ud88354,diammonium l-tartrate,r-2,3-dihydroxybutanedioic acid diammonium salt,ammonium tartrate dibasic,butanedioic acid, 2,3-dihydroxy-2r,3r-, diammonium salt,ammonium l-+-tartrate,diammonium 2r,3r-2,3-dihydroxysuccinate PubChem CID: 13652278 ChEBI: CHEBI:63075 SMILES: N.N.O[C@H]([C@@H](O)C(O)=O)C(O)=O
| PubChem CID | 13652278 |
|---|---|
| CAS | 3164-29-2 |
| Molecular Weight (g/mol) | 184.15 |
| ChEBI | CHEBI:63075 |
| MDL Number | MFCD00013073 |
| SMILES | N.N.O[C@H]([C@@H](O)C(O)=O)C(O)=O |
| Synonym | ammonium d-tartrate,diammonium l-+-tartrate,l-tartaric acid, ammonium salt,unii-ji8ud88354,diammonium l-tartrate,r-2,3-dihydroxybutanedioic acid diammonium salt,ammonium tartrate dibasic,butanedioic acid, 2,3-dihydroxy-2r,3r-, diammonium salt,ammonium l-+-tartrate,diammonium 2r,3r-2,3-dihydroxysuccinate |
| InChI Key | NGPGDYLVALNKEG-OLXYHTOASA-N |
| Molecular Formula | C4H12N2O6 |
Sodium Benzoate, Powder, NF, 99-101%, Spectrum™ Chemical
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CAS: 532-32-1 Molecular Formula: C7H5NaO2 Molecular Weight (g/mol): 144.11 MDL Number: MFCD00012463 InChI Key: WXMKPNITSTVMEF-UHFFFAOYSA-M IUPAC Name: sodium benzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC=C1
| CAS | 532-32-1 |
|---|---|
| Molecular Weight (g/mol) | 144.11 |
| MDL Number | MFCD00012463 |
| SMILES | [Na+].[O-]C(=O)C1=CC=CC=C1 |
| IUPAC Name | sodium benzoate |
| InChI Key | WXMKPNITSTVMEF-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO2 |
Calcium propionate hydrate, 97%
CAS: 4075-81-4 Molecular Formula: C6H10CaO4 Molecular Weight (g/mol): 186.22 MDL Number: MFCD00167354 InChI Key: BCZXFFBUYPCTSJ-UHFFFAOYSA-L Synonym: calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907 PubChem CID: 19999 ChEBI: CHEBI:81716 IUPAC Name: calcium;propanoate SMILES: [Ca++].CCC([O-])=O.CCC([O-])=O
| PubChem CID | 19999 |
|---|---|
| CAS | 4075-81-4 |
| Molecular Weight (g/mol) | 186.22 |
| ChEBI | CHEBI:81716 |
| MDL Number | MFCD00167354 |
| SMILES | [Ca++].CCC([O-])=O.CCC([O-])=O |
| Synonym | calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907 |
| IUPAC Name | calcium;propanoate |
| InChI Key | BCZXFFBUYPCTSJ-UHFFFAOYSA-L |
| Molecular Formula | C6H10CaO4 |
Sodium glycolate, 97%
CAS: 2836-32-0 Molecular Formula: C2H3NaO3 Molecular Weight (g/mol): 98.03 MDL Number: MFCD00065358 InChI Key: VILMUCRZVVVJCA-UHFFFAOYSA-M Synonym: sodium glycolate,sodium hydroxyacetate,sodium 2-hydroxyacetate,sodium lycolate,monosodium glycolate,glycolic acid sodium salt,natriumglykolat,sodium glycollate,acetic acid, hydroxy-, monosodium salt,glycolic acid, monosodium salt PubChem CID: 517347 IUPAC Name: sodium;2-hydroxyacetate SMILES: C(C(=O)[O-])O.[Na+]
| PubChem CID | 517347 |
|---|---|
| CAS | 2836-32-0 |
| Molecular Weight (g/mol) | 98.03 |
| MDL Number | MFCD00065358 |
| SMILES | C(C(=O)[O-])O.[Na+] |
| Synonym | sodium glycolate,sodium hydroxyacetate,sodium 2-hydroxyacetate,sodium lycolate,monosodium glycolate,glycolic acid sodium salt,natriumglykolat,sodium glycollate,acetic acid, hydroxy-, monosodium salt,glycolic acid, monosodium salt |
| IUPAC Name | sodium;2-hydroxyacetate |
| InChI Key | VILMUCRZVVVJCA-UHFFFAOYSA-M |
| Molecular Formula | C2H3NaO3 |
Spectrum Chemical Manufacturing Corporation 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 Valproate, EP, 98.5-101%, Spectrum™ Chemical
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CAS: 1069-66-5 Molecular Formula: C8H15NaO2 Molecular Weight (g/mol): 166.20 InChI Key: AEQFSUDEHCCHBT-UHFFFAOYSA-M IUPAC Name: sodium 2-propylpentanoate SMILES: [Na+].CCCC(CCC)C([O-])=O
| CAS | 1069-66-5 |
|---|---|
| Molecular Weight (g/mol) | 166.20 |
| SMILES | [Na+].CCCC(CCC)C([O-])=O |
| IUPAC Name | sodium 2-propylpentanoate |
| InChI Key | AEQFSUDEHCCHBT-UHFFFAOYSA-M |
| Molecular Formula | C8H15NaO2 |
Methyl 3-methoxyphenylacetate, 97%
CAS: 18927-05-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00017205 InChI Key: BSVIOYCZTJRBDB-UHFFFAOYSA-N Synonym: methyl 2-3-methoxyphenyl acetate,methyl 3-methoxyphenylacetate,benzeneacetic acid, 3-methoxy-, methyl ester,acetic acid, m-methoxyphenyl-, methyl ester,methyl 3-methoxyphenyl acetate,3-methoxy-phenyl-acetic acid methyl ester,acmc-1brer,methyl m-methoxyphenylacetate,methyl 3-methoxy-phenylacetate PubChem CID: 519609 IUPAC Name: methyl 2-(3-methoxyphenyl)acetate SMILES: COC1=CC=CC(=C1)CC(=O)OC
| PubChem CID | 519609 |
|---|---|
| CAS | 18927-05-4 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00017205 |
| SMILES | COC1=CC=CC(=C1)CC(=O)OC |
| Synonym | methyl 2-3-methoxyphenyl acetate,methyl 3-methoxyphenylacetate,benzeneacetic acid, 3-methoxy-, methyl ester,acetic acid, m-methoxyphenyl-, methyl ester,methyl 3-methoxyphenyl acetate,3-methoxy-phenyl-acetic acid methyl ester,acmc-1brer,methyl m-methoxyphenylacetate,methyl 3-methoxy-phenylacetate |
| IUPAC Name | methyl 2-(3-methoxyphenyl)acetate |
| InChI Key | BSVIOYCZTJRBDB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
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 |
Spectrum Chemical Manufacturing Corporation 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 |
2,2,3,4,4,4-Hexafluorobutyl methacrylate, 96%, stab.
CAS: 36405-47-7 Molecular Formula: C8H8F6O2 Molecular Weight (g/mol): 250.14 MDL Number: MFCD00042311 InChI Key: DFVPUWGVOPDJTC-UHFFFAOYSA-N Synonym: 2,2,3,4,4,4-hexafluorobutyl methacrylate,1h,1h,3h-hexafluorobutyl methacrylate,hexafluorobutyl methacrylate,methacrylic acid 2,2,3,4,4,4-hexafluorobutyl ester,2-propenoic acid, 2-methyl-, 2,2,3,4,4,4-hexafluorobutyl ester,hexafluorobutyl methacrylate polymer,hfbma,acmc-1adv6,ksc489s1j,2-propenoic acid, 2-methyl-, 2,2,3,4,4,4-hexafluorobutyl ester, homopolymer PubChem CID: 549772 IUPAC Name: 2,2,3,4,4,4-hexafluorobutyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC(C(C(F)(F)F)F)(F)F
| PubChem CID | 549772 |
|---|---|
| CAS | 36405-47-7 |
| Molecular Weight (g/mol) | 250.14 |
| MDL Number | MFCD00042311 |
| SMILES | CC(=C)C(=O)OCC(C(C(F)(F)F)F)(F)F |
| Synonym | 2,2,3,4,4,4-hexafluorobutyl methacrylate,1h,1h,3h-hexafluorobutyl methacrylate,hexafluorobutyl methacrylate,methacrylic acid 2,2,3,4,4,4-hexafluorobutyl ester,2-propenoic acid, 2-methyl-, 2,2,3,4,4,4-hexafluorobutyl ester,hexafluorobutyl methacrylate polymer,hfbma,acmc-1adv6,ksc489s1j,2-propenoic acid, 2-methyl-, 2,2,3,4,4,4-hexafluorobutyl ester, homopolymer |
| IUPAC Name | 2,2,3,4,4,4-hexafluorobutyl 2-methylprop-2-enoate |
| InChI Key | DFVPUWGVOPDJTC-UHFFFAOYSA-N |
| Molecular Formula | C8H8F6O2 |
tert-Butyl propiolate, 98%
CAS: 13831-03-3 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00060100 InChI Key: XGTPDIIFEPTULX-UHFFFAOYSA-N Synonym: tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # PubChem CID: 543038 IUPAC Name: tert-butyl prop-2-ynoate SMILES: CC(C)(C)OC(=O)C#C
| PubChem CID | 543038 |
|---|---|
| CAS | 13831-03-3 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD00060100 |
| SMILES | CC(C)(C)OC(=O)C#C |
| Synonym | tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # |
| IUPAC Name | tert-butyl prop-2-ynoate |
| InChI Key | XGTPDIIFEPTULX-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
Methyl cyanoacetate, 99%
CAS: 105-34-0 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00001939 InChI Key: ANGDWNBGPBMQHW-UHFFFAOYSA-N Synonym: methyl cyanoacetate,cyanoacetic acid methyl ester,methyl cyanoethanoate,acetic acid, cyano-, methyl ester,usaf kf-22,methylester kyseliny kyanoctove,methylcyanoacetate,malonic methyl ester nitrile,acetic acid, 2-cyano-, methyl ester,methyl cyano acetate PubChem CID: 7747 ChEBI: CHEBI:51928 IUPAC Name: methyl 2-cyanoacetate SMILES: COC(=O)CC#N
| PubChem CID | 7747 |
|---|---|
| CAS | 105-34-0 |
| Molecular Weight (g/mol) | 99.09 |
| ChEBI | CHEBI:51928 |
| MDL Number | MFCD00001939 |
| SMILES | COC(=O)CC#N |
| Synonym | methyl cyanoacetate,cyanoacetic acid methyl ester,methyl cyanoethanoate,acetic acid, cyano-, methyl ester,usaf kf-22,methylester kyseliny kyanoctove,methylcyanoacetate,malonic methyl ester nitrile,acetic acid, 2-cyano-, methyl ester,methyl cyano acetate |
| IUPAC Name | methyl 2-cyanoacetate |
| InChI Key | ANGDWNBGPBMQHW-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO2 |
Methyl DL-2-bromopropionate, 99%
CAS: 5445-17-0 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167 MDL Number: MFCD00000143 InChI Key: ACEONLNNWKIPTM-UHFFFAOYSA-N PubChem CID: 95576 IUPAC Name: methyl 2-bromopropanoate SMILES: CC(C(=O)OC)Br
| PubChem CID | 95576 |
|---|---|
| CAS | 5445-17-0 |
| Molecular Weight (g/mol) | 167 |
| MDL Number | MFCD00000143 |
| SMILES | CC(C(=O)OC)Br |
| IUPAC Name | methyl 2-bromopropanoate |
| InChI Key | ACEONLNNWKIPTM-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |