Carboxylic acids and derivatives
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MilliporeSigma™ Dihydrorhodamine 123, Calbiochem™,
CAS: 109244-58-8 Molecular Formula: C21H18N2O3 Molecular Weight (g/mol): 346.39 MDL Number: MFCD04221428 InChI Key: FNEZBBILNYNQGC-UHFFFAOYSA-N Synonym: dihydrorhodamine 123,dihydrorhodamine,methyl 2-3,6-diamino-9h-xanthen-9-yl benzoate,benzoic acid, 2-3,6-diamino-9h-xanthen-9-yl-, methyl ester,dihydrorhodamine-123 PubChem CID: 105032 IUPAC Name: methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate SMILES: COC(=O)C1=CC=CC=C1C1C2=CC=C(N)C=C2OC2=CC(N)=CC=C12
| PubChem CID | 105032 |
|---|---|
| CAS | 109244-58-8 |
| Molecular Weight (g/mol) | 346.39 |
| MDL Number | MFCD04221428 |
| SMILES | COC(=O)C1=CC=CC=C1C1C2=CC=C(N)C=C2OC2=CC(N)=CC=C12 |
| Synonym | dihydrorhodamine 123,dihydrorhodamine,methyl 2-3,6-diamino-9h-xanthen-9-yl benzoate,benzoic acid, 2-3,6-diamino-9h-xanthen-9-yl-, methyl ester,dihydrorhodamine-123 |
| IUPAC Name | methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate |
| InChI Key | FNEZBBILNYNQGC-UHFFFAOYSA-N |
| Molecular Formula | C21H18N2O3 |
Sodium Propionate, NF, 99-100.5%, Spectrum™ Chemical
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CAS: 6700-17-0 Molecular Formula: C3H7NaO3 Molecular Weight (g/mol): 114.08 InChI Key: HOAUAOBUGFYWMK-UHFFFAOYSA-M IUPAC Name: sodium hydrate propanoate SMILES: O.[Na+].CCC([O-])=O
| CAS | 6700-17-0 |
|---|---|
| Molecular Weight (g/mol) | 114.08 |
| SMILES | O.[Na+].CCC([O-])=O |
| IUPAC Name | sodium hydrate propanoate |
| InChI Key | HOAUAOBUGFYWMK-UHFFFAOYSA-M |
| Molecular Formula | C3H7NaO3 |
Calcium Gluconate, Anhydrous, Powder, USP, 98-102%, Spectrum™ Chemical
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CAS: 299-28-5 Molecular Formula: C12H22CaO14 Molecular Weight (g/mol): 430.37 InChI Key: NEEHYRZPVYRGPP-IYEMJOQQSA-L IUPAC Name: calcium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) SMILES: [Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
| CAS | 299-28-5 |
|---|---|
| Molecular Weight (g/mol) | 430.37 |
| SMILES | [Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O |
| IUPAC Name | calcium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) |
| InChI Key | NEEHYRZPVYRGPP-IYEMJOQQSA-L |
| Molecular Formula | C12H22CaO14 |
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 |
Zinc propionate, 97%
CAS: 557-28-8 Molecular Formula: C6H10O4Zn Molecular Weight (g/mol): 211.52 MDL Number: MFCD00045937 InChI Key: XDWXRAYGALQIFG-UHFFFAOYSA-L Synonym: zinc propionate,unii-81pxa87xvc,81pxa87xvc,propanoic acid, zinc salt 2:1,gyna-plex,propionic acid, zinc salt,zinc dipropionate,propanoic acid, zinc salt,zinc propanoate,propanoic acid, zinc salt, basic PubChem CID: 11189 IUPAC Name: zinc;propanoate SMILES: [Zn++].CCC([O-])=O.CCC([O-])=O
| PubChem CID | 11189 |
|---|---|
| CAS | 557-28-8 |
| Molecular Weight (g/mol) | 211.52 |
| MDL Number | MFCD00045937 |
| SMILES | [Zn++].CCC([O-])=O.CCC([O-])=O |
| Synonym | zinc propionate,unii-81pxa87xvc,81pxa87xvc,propanoic acid, zinc salt 2:1,gyna-plex,propionic acid, zinc salt,zinc dipropionate,propanoic acid, zinc salt,zinc propanoate,propanoic acid, zinc salt, basic |
| IUPAC Name | zinc;propanoate |
| InChI Key | XDWXRAYGALQIFG-UHFFFAOYSA-L |
| Molecular Formula | C6H10O4Zn |
Diethylenetriamine-N,N,N',N″,N″-pentaacetic acid, 90%, MP Biomedicals™
CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.349 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
| PubChem CID | 3053 |
|---|---|
| CAS | 67-43-6 |
| Molecular Weight (g/mol) | 393.349 |
| ChEBI | CHEBI:35739 |
| SMILES | C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| Synonym | pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid |
| IUPAC Name | 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid |
| InChI Key | QPCDCPDFJACHGM-UHFFFAOYSA-N |
| Molecular Formula | C14H23N3O10 |
Sodium Pyruvate, MP Biomedicals
CAS: 113-24-6 Molecular Formula: C3H3NaO3 Molecular Weight (g/mol): 110.044 InChI Key: DAEPDZWVDSPTHF-UHFFFAOYSA-M Synonym: sodium pyruvate,pyruvic acid sodium salt,sodium 2-oxopropanoate,pyruvic acid, sodium salt,propanoic acid, 2-oxo-, sodium salt,sodium alpha-ketopropionate,pyruvate sodium,unii-pod38aif08,2-oxopropanoic acid sodium salt,pod38aif08 PubChem CID: 23662274 ChEBI: CHEBI:50144 IUPAC Name: sodium;2-oxopropanoate SMILES: CC(=O)C(=O)[O-].[Na+]
| PubChem CID | 23662274 |
|---|---|
| CAS | 113-24-6 |
| Molecular Weight (g/mol) | 110.044 |
| ChEBI | CHEBI:50144 |
| SMILES | CC(=O)C(=O)[O-].[Na+] |
| Synonym | sodium pyruvate,pyruvic acid sodium salt,sodium 2-oxopropanoate,pyruvic acid, sodium salt,propanoic acid, 2-oxo-, sodium salt,sodium alpha-ketopropionate,pyruvate sodium,unii-pod38aif08,2-oxopropanoic acid sodium salt,pod38aif08 |
| IUPAC Name | sodium;2-oxopropanoate |
| InChI Key | DAEPDZWVDSPTHF-UHFFFAOYSA-M |
| Molecular Formula | C3H3NaO3 |
Calcium formate, 98%
CAS: 544-17-2 Molecular Formula: C2H2CaO4 Molecular Weight (g/mol): 130.112 MDL Number: MFCD00036108 InChI Key: CBOCVOKPQGJKKJ-UHFFFAOYSA-L Synonym: calcium formate,calcium diformate,formic acid, calcium salt,calcoform,unii-np3jd65npy,mravencan vapenaty czech,calcium formate ca hco2 2,formic acid calcium salt,np3jd65npy,formic acid, calcium salt 2:1 PubChem CID: 10997 ChEBI: CHEBI:81851 IUPAC Name: calcium;diformate SMILES: C(=O)[O-].C(=O)[O-].[Ca+2]
| PubChem CID | 10997 |
|---|---|
| CAS | 544-17-2 |
| Molecular Weight (g/mol) | 130.112 |
| ChEBI | CHEBI:81851 |
| MDL Number | MFCD00036108 |
| SMILES | C(=O)[O-].C(=O)[O-].[Ca+2] |
| Synonym | calcium formate,calcium diformate,formic acid, calcium salt,calcoform,unii-np3jd65npy,mravencan vapenaty czech,calcium formate ca hco2 2,formic acid calcium salt,np3jd65npy,formic acid, calcium salt 2:1 |
| IUPAC Name | calcium;diformate |
| InChI Key | CBOCVOKPQGJKKJ-UHFFFAOYSA-L |
| Molecular Formula | C2H2CaO4 |
N(alpha)-Boc-D-2,3-diaminopropionic acid, 97%
CAS: 76387-70-7 Molecular Formula: C8H16N2O4 Molecular Weight (g/mol): 204.226 MDL Number: MFCD01632072 InChI Key: KRJLRVZLNABMAT-RXMQYKEDSA-N Synonym: boc-d-dap-oh,boc-d-2,3-diaminopropionic acid,r-3-amino-2-tert-butoxycarbonyl amino propanoic acid,2r-3-amino-2-tert-butoxy carbonyl amino propanoic acid,d-alanine, 3-amino-n-1,1-dimethylethoxy carbonyl,2r-3-amino-2-tert-butoxycarbonyl amino propanoic acid,2r-3-amino-2-2-methylpropan-2-yl oxycarbonylamino propanoic acid,ambotzbaa1179,pubchem14749,3-amino-n-boc-d-alanine PubChem CID: 7020984 IUPAC Name: (2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CN)C(=O)O
| PubChem CID | 7020984 |
|---|---|
| CAS | 76387-70-7 |
| Molecular Weight (g/mol) | 204.226 |
| MDL Number | MFCD01632072 |
| SMILES | CC(C)(C)OC(=O)NC(CN)C(=O)O |
| Synonym | boc-d-dap-oh,boc-d-2,3-diaminopropionic acid,r-3-amino-2-tert-butoxycarbonyl amino propanoic acid,2r-3-amino-2-tert-butoxy carbonyl amino propanoic acid,d-alanine, 3-amino-n-1,1-dimethylethoxy carbonyl,2r-3-amino-2-tert-butoxycarbonyl amino propanoic acid,2r-3-amino-2-2-methylpropan-2-yl oxycarbonylamino propanoic acid,ambotzbaa1179,pubchem14749,3-amino-n-boc-d-alanine |
| IUPAC Name | (2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI Key | KRJLRVZLNABMAT-RXMQYKEDSA-N |
| Molecular Formula | C8H16N2O4 |
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 |
N-(Ethoxycarbonyl)phthalimide, 97%
CAS: 22509-74-6 Molecular Formula: C11H9NO4 Molecular Weight (g/mol): 219.196 MDL Number: MFCD00005893 InChI Key: VRHAQNTWKSVEEC-UHFFFAOYSA-N Synonym: n-carbethoxyphthalimide,n-ethoxycarbonylphthalimide,n-carboethoxyphthalimide,phthalimide-n-carbethoxy,ethyl n-phthaloylcarbamate,n-ethoxycarbonyl phthalimide,2h-isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester,ethyl 1,3-dioxoisoindoline-2-carboxylate,n-karbetoksi-ftalimid,2-isoindolinecarboxylic acid, 1,3-dioxo-, ethyl ester PubChem CID: 31187 IUPAC Name: ethyl 1,3-dioxoisoindole-2-carboxylate SMILES: CCOC(=O)N1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 31187 |
|---|---|
| CAS | 22509-74-6 |
| Molecular Weight (g/mol) | 219.196 |
| MDL Number | MFCD00005893 |
| SMILES | CCOC(=O)N1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-carbethoxyphthalimide,n-ethoxycarbonylphthalimide,n-carboethoxyphthalimide,phthalimide-n-carbethoxy,ethyl n-phthaloylcarbamate,n-ethoxycarbonyl phthalimide,2h-isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester,ethyl 1,3-dioxoisoindoline-2-carboxylate,n-karbetoksi-ftalimid,2-isoindolinecarboxylic acid, 1,3-dioxo-, ethyl ester |
| IUPAC Name | ethyl 1,3-dioxoisoindole-2-carboxylate |
| InChI Key | VRHAQNTWKSVEEC-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO4 |
5,5-Dimethylhydantoin, 97%
CAS: 77-71-4 Molecular Formula: C5H8N2O2 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00005266 InChI Key: YIROYDNZEPTFOL-UHFFFAOYSA-N Synonym: 5,5-dimethylhydantoin,dimethylhydantoin,dm hydantoin,dantoin dmh,2,4-imidazolidinedione, 5,5-dimethyl,5,5-dimethyl-2,4-imidazolidinedione,dantoin 736,hydantoin, 5,5-dimethyl,5,5-dimethylhydantoin dmh,5,5-dimethyl hydantoin PubChem CID: 6491 IUPAC Name: 5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C)NC(=O)NC1=O
| PubChem CID | 6491 |
|---|---|
| CAS | 77-71-4 |
| Molecular Weight (g/mol) | 128.13 |
| MDL Number | MFCD00005266 |
| SMILES | CC1(C)NC(=O)NC1=O |
| Synonym | 5,5-dimethylhydantoin,dimethylhydantoin,dm hydantoin,dantoin dmh,2,4-imidazolidinedione, 5,5-dimethyl,5,5-dimethyl-2,4-imidazolidinedione,dantoin 736,hydantoin, 5,5-dimethyl,5,5-dimethylhydantoin dmh,5,5-dimethyl hydantoin |
| IUPAC Name | 5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | YIROYDNZEPTFOL-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2O2 |
Methyl cyclopentanecarboxylate, 97%
CAS: 4630-80-2 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00019290 InChI Key: IIHIJFJSXPDTNO-UHFFFAOYSA-N Synonym: cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl PubChem CID: 78365 IUPAC Name: methyl cyclopentanecarboxylate SMILES: COC(=O)C1CCCC1
| PubChem CID | 78365 |
|---|---|
| CAS | 4630-80-2 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00019290 |
| SMILES | COC(=O)C1CCCC1 |
| Synonym | cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl |
| IUPAC Name | methyl cyclopentanecarboxylate |
| InChI Key | IIHIJFJSXPDTNO-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Methyl phenylpropiolate, 97%
CAS: 4891-38-7 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00041685 InChI Key: JFGWPXKGINUNDH-UHFFFAOYSA-N Synonym: methyl phenylpropiolate,methyl 3-phenylpropiolate,phenylpropynoic acid methyl ester,2-propynoic acid, 3-phenyl-, methyl ester,methyl phenylpropargylate,phenylpropiolic acid methyl ester,propiolic acid, 3-phenyl-, methyl ester,methylphenylpropalate,propiolic acid, phenyl-, methyl ester,methyl phenylpropynoate PubChem CID: 138378 IUPAC Name: methyl 3-phenylprop-2-ynoate SMILES: COC(=O)C#CC1=CC=CC=C1
| PubChem CID | 138378 |
|---|---|
| CAS | 4891-38-7 |
| Molecular Weight (g/mol) | 160.172 |
| MDL Number | MFCD00041685 |
| SMILES | COC(=O)C#CC1=CC=CC=C1 |
| Synonym | methyl phenylpropiolate,methyl 3-phenylpropiolate,phenylpropynoic acid methyl ester,2-propynoic acid, 3-phenyl-, methyl ester,methyl phenylpropargylate,phenylpropiolic acid methyl ester,propiolic acid, 3-phenyl-, methyl ester,methylphenylpropalate,propiolic acid, phenyl-, methyl ester,methyl phenylpropynoate |
| IUPAC Name | methyl 3-phenylprop-2-ynoate |
| InChI Key | JFGWPXKGINUNDH-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
Methyl p-toluate, 99%
CAS: 99-75-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008441 InChI Key: QSSJZLPUHJDYKF-UHFFFAOYSA-N Synonym: methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate PubChem CID: 7455 IUPAC Name: methyl 4-methylbenzoate SMILES: CC1=CC=C(C=C1)C(=O)OC
| PubChem CID | 7455 |
|---|---|
| CAS | 99-75-2 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008441 |
| SMILES | CC1=CC=C(C=C1)C(=O)OC |
| Synonym | methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate |
| IUPAC Name | methyl 4-methylbenzoate |
| InChI Key | QSSJZLPUHJDYKF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |