Carboxylic acids and derivatives
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7-Fluorooxindole, 95%
CAS: 71294-03-6 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD02179608 InChI Key: VMUIOEOYZHJLEZ-UHFFFAOYSA-N Synonym: 7-fluorooxindole,7-fluoroindolin-2-one,7-fluoro-oxindole,7-fluoro-2-oxindole,7-fluoroindolinone,7-fluoro-1,3-dihydro-2h-indol-2-one,2h-indol-2-one, 7-fluoro-1,3-dihydro,7-fluoro-1,3-dihydro-indol-2-one,7-fluoro-2,3-dihydro-1h-indol-2-one,1,3-dihydro-7-fluoro-2h-indol-2-one PubChem CID: 3734371 IUPAC Name: 7-fluoro-1,3-dihydroindol-2-one SMILES: C1C2=C(C(=CC=C2)F)NC1=O
| PubChem CID | 3734371 |
|---|---|
| CAS | 71294-03-6 |
| Molecular Weight (g/mol) | 151.14 |
| MDL Number | MFCD02179608 |
| SMILES | C1C2=C(C(=CC=C2)F)NC1=O |
| Synonym | 7-fluorooxindole,7-fluoroindolin-2-one,7-fluoro-oxindole,7-fluoro-2-oxindole,7-fluoroindolinone,7-fluoro-1,3-dihydro-2h-indol-2-one,2h-indol-2-one, 7-fluoro-1,3-dihydro,7-fluoro-1,3-dihydro-indol-2-one,7-fluoro-2,3-dihydro-1h-indol-2-one,1,3-dihydro-7-fluoro-2h-indol-2-one |
| IUPAC Name | 7-fluoro-1,3-dihydroindol-2-one |
| InChI Key | VMUIOEOYZHJLEZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO |
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 |
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O
| PubChem CID | 587721 |
|---|---|
| CAS | 5744-56-9 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00159636 |
| SMILES | CN1N=C(C)C=C1C(O)=O |
| Synonym | 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl |
| IUPAC Name | 2,5-dimethylpyrazole-3-carboxylic acid |
| InChI Key | QRWZFUBHOQWUGH-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
1,2-Bis(2-aminophenoxy)-ethane-N,N,N'N'-tetraacetic acid, 97%
CAS: 85233-19-8 Molecular Formula: C22H24N2O10 Molecular Weight (g/mol): 476.44 MDL Number: MFCD00036255 InChI Key: FTEDXVNDVHYDQW-UHFFFAOYSA-N Synonym: bapta,bapeta,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,ca ii-bapta,1,2-bis-2-aminophenoxy ethane n,n,n',n'-tetraacetic acid,unii-k22ddw77c0,1,2-bis o-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,bapta tetrasodium salt hydrate,glycine, n,n'-1,2-ethanediylbis oxy-2,1-phenylene bis n-carboxymethyl,2,2',2,2'-ethane-1,2-diylbis oxy-2,1-phenylenenitrilo tetraacetic acid PubChem CID: 104751 ChEBI: CHEBI:60888 IUPAC Name: 2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid SMILES: OC(=O)CN(CC(O)=O)C1=CC=CC=C1OCCOC1=CC=CC=C1N(CC(O)=O)CC(O)=O
| PubChem CID | 104751 |
|---|---|
| CAS | 85233-19-8 |
| Molecular Weight (g/mol) | 476.44 |
| ChEBI | CHEBI:60888 |
| MDL Number | MFCD00036255 |
| SMILES | OC(=O)CN(CC(O)=O)C1=CC=CC=C1OCCOC1=CC=CC=C1N(CC(O)=O)CC(O)=O |
| Synonym | bapta,bapeta,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,ca ii-bapta,1,2-bis-2-aminophenoxy ethane n,n,n',n'-tetraacetic acid,unii-k22ddw77c0,1,2-bis o-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,bapta tetrasodium salt hydrate,glycine, n,n'-1,2-ethanediylbis oxy-2,1-phenylene bis n-carboxymethyl,2,2',2,2'-ethane-1,2-diylbis oxy-2,1-phenylenenitrilo tetraacetic acid |
| IUPAC Name | 2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid |
| InChI Key | FTEDXVNDVHYDQW-UHFFFAOYSA-N |
| Molecular Formula | C22H24N2O10 |
N-Acetylmorpholine, 98%
CAS: 1696-20-4 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.159 MDL Number: MFCD00006171 InChI Key: KYWXRBNOYGGPIZ-UHFFFAOYSA-N Synonym: 4-acetylmorpholine,n-acetylmorpholine,1-morpholinoethanone,morpholine, 4-acetyl,n-acetylmorfolin,n-acetylmorfolin czech,ethanone, 1-4-morpholinyl,n-acetyl morpholine,1-morpholin-4-yl ethan-1-one,acetylmorpholine PubChem CID: 15543 IUPAC Name: 1-morpholin-4-ylethanone SMILES: CC(=O)N1CCOCC1
| PubChem CID | 15543 |
|---|---|
| CAS | 1696-20-4 |
| Molecular Weight (g/mol) | 129.159 |
| MDL Number | MFCD00006171 |
| SMILES | CC(=O)N1CCOCC1 |
| Synonym | 4-acetylmorpholine,n-acetylmorpholine,1-morpholinoethanone,morpholine, 4-acetyl,n-acetylmorfolin,n-acetylmorfolin czech,ethanone, 1-4-morpholinyl,n-acetyl morpholine,1-morpholin-4-yl ethan-1-one,acetylmorpholine |
| IUPAC Name | 1-morpholin-4-ylethanone |
| InChI Key | KYWXRBNOYGGPIZ-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO2 |
Spectrum Chemical Manufacturing Corporation Methyl Benzoate, 98%, Spectrum™ Chemical
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CAS: 93-58-3
| CAS | 93-58-3 |
|---|
Benzyl cyanoacetate, 97%
CAS: 14447-18-8 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00051719 InChI Key: RCUIWQWWDLZNMS-UHFFFAOYSA-N Synonym: benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid PubChem CID: 560818 IUPAC Name: benzyl 2-cyanoacetate SMILES: O=C(CC#N)OCC1=CC=CC=C1
| PubChem CID | 560818 |
|---|---|
| CAS | 14447-18-8 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00051719 |
| SMILES | O=C(CC#N)OCC1=CC=CC=C1 |
| Synonym | benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid |
| IUPAC Name | benzyl 2-cyanoacetate |
| InChI Key | RCUIWQWWDLZNMS-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Ethylenediamine Tetraacetic Acid, ACS, MP Biomedicals™
CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 IUPAC Name: 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
| PubChem CID | 6049 |
|---|---|
| CAS | 60-00-4 |
| Molecular Weight (g/mol) | 292.24 |
| ChEBI | CHEBI:42191 |
| MDL Number | MFCD00003541 |
| SMILES | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
| Synonym | edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol |
| IUPAC Name | 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid |
| InChI Key | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
| Molecular Formula | C10H16N2O8 |
1-Formyl-4-methylpiperazine, 98%
CAS: 7556-55-0 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.18 MDL Number: MFCD00085930 InChI Key: JQTMGOLZSBTZMS-UHFFFAOYSA-N Synonym: 1-formyl-4-methylpiperazine,n-methyl-n'-formylpiperazine,4-methylpiperazin-1-yl methanone,4-methyl-1-piperazinyl-methanone,4-methyl-piperazin-1-yl-methanone,ods PubChem CID: 3269221 ChEBI: CHEBI:44477 IUPAC Name: 4-methylpiperazine-1-carbaldehyde SMILES: CN1CCN(CC1)C=O
| PubChem CID | 3269221 |
|---|---|
| CAS | 7556-55-0 |
| Molecular Weight (g/mol) | 128.18 |
| ChEBI | CHEBI:44477 |
| MDL Number | MFCD00085930 |
| SMILES | CN1CCN(CC1)C=O |
| Synonym | 1-formyl-4-methylpiperazine,n-methyl-n'-formylpiperazine,4-methylpiperazin-1-yl methanone,4-methyl-1-piperazinyl-methanone,4-methyl-piperazin-1-yl-methanone,ods |
| IUPAC Name | 4-methylpiperazine-1-carbaldehyde |
| InChI Key | JQTMGOLZSBTZMS-UHFFFAOYSA-N |
| Molecular Formula | C6H12N2O |
Butyl butyrate, 98%
CAS: 109-21-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009450 InChI Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N Synonym: butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate PubChem CID: 7983 ChEBI: CHEBI:87429 IUPAC Name: butyl butanoate SMILES: CCCCOC(=O)CCC
| PubChem CID | 7983 |
|---|---|
| CAS | 109-21-7 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:87429 |
| MDL Number | MFCD00009450 |
| SMILES | CCCCOC(=O)CCC |
| Synonym | butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate |
| IUPAC Name | butyl butanoate |
| InChI Key | XUPYJHCZDLZNFP-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
6-Quinoxalinecarboxylic acid, 95%, Thermo Scientific™
CAS: 6925-00-4 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 InChI Key: JGQDBVXRYDEWGM-UHFFFAOYSA-N Synonym: 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid PubChem CID: 674813 IUPAC Name: quinoxaline-6-carboxylic acid SMILES: C1=CC2=NC=CN=C2C=C1C(=O)O
| PubChem CID | 674813 |
|---|---|
| CAS | 6925-00-4 |
| Molecular Weight (g/mol) | 174.159 |
| SMILES | C1=CC2=NC=CN=C2C=C1C(=O)O |
| Synonym | 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid |
| IUPAC Name | quinoxaline-6-carboxylic acid |
| InChI Key | JGQDBVXRYDEWGM-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
Ethylene glycol-bis-(β-aminoethylether)-N,N,N',N'-tetraacetic acid, 99.6%, MP Biomedicals™
CAS: 67-42-5 Molecular Formula: C14H24N2O10 Molecular Weight (g/mol): 380.35 InChI Key: DEFVIWRASFVYLL-UHFFFAOYSA-N Synonym: egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn PubChem CID: 6207 ChEBI: CHEBI:30740 IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid SMILES: C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
| PubChem CID | 6207 |
|---|---|
| CAS | 67-42-5 |
| Molecular Weight (g/mol) | 380.35 |
| ChEBI | CHEBI:30740 |
| SMILES | C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
| Synonym | egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn |
| IUPAC Name | 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid |
| InChI Key | DEFVIWRASFVYLL-UHFFFAOYSA-N |
| Molecular Formula | C14H24N2O10 |
Desmosine, 99.5%, MP Biomedicals™
CAS: 11003-57-9 Molecular Formula: C24H40N5O8 Molecular Weight (g/mol): 526.61 InChI Key: VEVRNHHLCPGNDU-UHFFFAOYNA-O Synonym: desmosine,norleucine, 6-4-4-amino-4-carboxybutyl-3,5-bis 3-amino-3-carboxypropyl pyridinio,2-amino-6-3,5-bis 3-amino-4-hydroxy-4-oxobutyl-4-4-amino-5-hydroxy-5-oxopentyl pyridin-1-ium-1-yl hexanoic acid PubChem CID: 15942890 ChEBI: CHEBI:37628
| PubChem CID | 15942890 |
|---|---|
| CAS | 11003-57-9 |
| Molecular Weight (g/mol) | 526.61 |
| ChEBI | CHEBI:37628 |
| Synonym | desmosine,norleucine, 6-4-4-amino-4-carboxybutyl-3,5-bis 3-amino-3-carboxypropyl pyridinio,2-amino-6-3,5-bis 3-amino-4-hydroxy-4-oxobutyl-4-4-amino-5-hydroxy-5-oxopentyl pyridin-1-ium-1-yl hexanoic acid |
| InChI Key | VEVRNHHLCPGNDU-UHFFFAOYNA-O |
| Molecular Formula | C24H40N5O8 |
(+)-Dibenzoyl-L-tartaric anhydride, 98%
CAS: 64339-95-3 Molecular Formula: C18H12O7 Molecular Weight (g/mol): 340.29 MDL Number: MFCD00067102 InChI Key: OXIKRMSPXYQFOT-ZCWZLOQUNA-N Synonym: 3r,4r-2,5-dioxotetrahydrofuran-3,4-diyl dibenzoate,+-dibenzoyl-l-tartaric anhydride,2,5-furandione, 3,4-bis benzoyloxy dihydro-, 3r,4r,2-o,3-o-dibenzoyl-l-tartaric anhydride,3r,4r-2,5-dioxo-3,4-dibenzoyloxy-3,4-dihydrofuran,3r,4r-4-benzoyloxy-2,5-dioxooxolan-3-yl benzoate PubChem CID: 2733743 IUPAC Name: [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate SMILES: O=C(O[C@@H]1[C@@H](OC(=O)C2=CC=CC=C2)C(=O)OC1=O)C1=CC=CC=C1
| PubChem CID | 2733743 |
|---|---|
| CAS | 64339-95-3 |
| Molecular Weight (g/mol) | 340.29 |
| MDL Number | MFCD00067102 |
| SMILES | O=C(O[C@@H]1[C@@H](OC(=O)C2=CC=CC=C2)C(=O)OC1=O)C1=CC=CC=C1 |
| Synonym | 3r,4r-2,5-dioxotetrahydrofuran-3,4-diyl dibenzoate,+-dibenzoyl-l-tartaric anhydride,2,5-furandione, 3,4-bis benzoyloxy dihydro-, 3r,4r,2-o,3-o-dibenzoyl-l-tartaric anhydride,3r,4r-2,5-dioxo-3,4-dibenzoyloxy-3,4-dihydrofuran,3r,4r-4-benzoyloxy-2,5-dioxooxolan-3-yl benzoate |
| IUPAC Name | [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate |
| InChI Key | OXIKRMSPXYQFOT-ZCWZLOQUNA-N |
| Molecular Formula | C18H12O7 |
2,3-Dimethyl-quinoxaline-6-carboxylic acid, 97%, Thermo Scientific™
CAS: 17635-26-6 Molecular Formula: C11H9N2O2 Molecular Weight (g/mol): 201.21 MDL Number: MFCD02575516 InChI Key: RCACNAWRFYUKLC-UHFFFAOYSA-M Synonym: 2,3-dimethyl-quinoxaline-6-carboxylic acid,2,3-dimethyl-6-quinoxalinecarboxylic acid,6-quinoxalinecarboxylicacid, 2,3-dimethyl,6-quinoxalinecarboxylic acid, 2,3-dimethyl PubChem CID: 236268 SMILES: CC1=C(C)N=C2C=C(C=CC2=N1)C([O-])=O
| PubChem CID | 236268 |
|---|---|
| CAS | 17635-26-6 |
| Molecular Weight (g/mol) | 201.21 |
| MDL Number | MFCD02575516 |
| SMILES | CC1=C(C)N=C2C=C(C=CC2=N1)C([O-])=O |
| Synonym | 2,3-dimethyl-quinoxaline-6-carboxylic acid,2,3-dimethyl-6-quinoxalinecarboxylic acid,6-quinoxalinecarboxylicacid, 2,3-dimethyl,6-quinoxalinecarboxylic acid, 2,3-dimethyl |
| InChI Key | RCACNAWRFYUKLC-UHFFFAOYSA-M |
| Molecular Formula | C11H9N2O2 |