Carboxylic acids and derivatives
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Methyl 3-methoxythiophene-2-carboxylate, 97%
CAS: 62353-75-7 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00102115 InChI Key: MWADWXJPBMFRGL-UHFFFAOYSA-N Synonym: 3-methoxy-2-thiophenecarboxylic acid methyl ester,acmc-20abea,methyl 3-methoxythiophene carboxylate,methyl 3-methoxy-2-thiophenecarboxylate,2-thiophenecarboxylicacid,3-methoxy-,methyl ester,3-methoxythiophene-2-carboxylic acid methyl ester PubChem CID: 701637 IUPAC Name: methyl 3-methoxythiophene-2-carboxylate SMILES: COC(=O)C1=C(OC)C=CS1
| PubChem CID | 701637 |
|---|---|
| CAS | 62353-75-7 |
| Molecular Weight (g/mol) | 172.20 |
| MDL Number | MFCD00102115 |
| SMILES | COC(=O)C1=C(OC)C=CS1 |
| Synonym | 3-methoxy-2-thiophenecarboxylic acid methyl ester,acmc-20abea,methyl 3-methoxythiophene carboxylate,methyl 3-methoxy-2-thiophenecarboxylate,2-thiophenecarboxylicacid,3-methoxy-,methyl ester,3-methoxythiophene-2-carboxylic acid methyl ester |
| IUPAC Name | methyl 3-methoxythiophene-2-carboxylate |
| InChI Key | MWADWXJPBMFRGL-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3S |
Sodium Ascorbate, FCC, 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 |
N-Palmitoyl-D-erythro-sphingosine, synthetical, 98%
CAS: 24696-26-2 Molecular Formula: C34H67NO3 Molecular Weight (g/mol): 537.91 MDL Number: MFCD00056205 InChI Key: YDNKGFDKKRUKPY-UHFFFAOYNA-N Synonym: c16-ceramide,d-erythro-c16-ceramide,n-palmitoyl 4-sphingenine,n-palmitoyl-d-sphingosine,d-erythro-4-ceramide,n-palmitoylsphingosinee,d-erythro-n-palmitoylsphingosine,n-hexadecanoyl-d-erythro-ceramide,d-erythro-n-hexadecanoylsphingenine,2s,3r,4e-2-n-palmitoyloctadecasphinga-4-ene PubChem CID: 71314645 SMILES: CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC
| PubChem CID | 71314645 |
|---|---|
| CAS | 24696-26-2 |
| Molecular Weight (g/mol) | 537.91 |
| MDL Number | MFCD00056205 |
| SMILES | CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC |
| Synonym | c16-ceramide,d-erythro-c16-ceramide,n-palmitoyl 4-sphingenine,n-palmitoyl-d-sphingosine,d-erythro-4-ceramide,n-palmitoylsphingosinee,d-erythro-n-palmitoylsphingosine,n-hexadecanoyl-d-erythro-ceramide,d-erythro-n-hexadecanoylsphingenine,2s,3r,4e-2-n-palmitoyloctadecasphinga-4-ene |
| InChI Key | YDNKGFDKKRUKPY-UHFFFAOYNA-N |
| Molecular Formula | C34H67NO3 |
3,5,7-Trimethyladamantane-1-carboxylic acid, 97%, Thermo Scientific™
CAS: 15291-66-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00187581 InChI Key: DHIIUPVOLLOORM-UHFFFAOYSA-N Synonym: 3,5,8-trimethyladamantanecarboxylic acid,maybridge4_000576,1,3,5-trimethyladamantane-7-carboxylic acid,3,5,7-trimethyl adamantane-1-carboxylic acid,1s,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5,7-trimethyl,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, 3,5,7-trimethyl PubChem CID: 2802268 IUPAC Name: 3,5,7-trimethyladamantane-1-carboxylic acid SMILES: CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(O)=O
| PubChem CID | 2802268 |
|---|---|
| CAS | 15291-66-4 |
| Molecular Weight (g/mol) | 222.33 |
| MDL Number | MFCD00187581 |
| SMILES | CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(O)=O |
| Synonym | 3,5,8-trimethyladamantanecarboxylic acid,maybridge4_000576,1,3,5-trimethyladamantane-7-carboxylic acid,3,5,7-trimethyl adamantane-1-carboxylic acid,1s,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5,7-trimethyl,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, 3,5,7-trimethyl |
| IUPAC Name | 3,5,7-trimethyladamantane-1-carboxylic acid |
| InChI Key | DHIIUPVOLLOORM-UHFFFAOYSA-N |
| Molecular Formula | C14H22O2 |
Titriplex™ II, Ethylenedinitrilotetraacetic acid, ACS, MilliporeSigma™
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 |
4-Methyloxindole, 95%, Thermo Scientific Chemicals
CAS: 13220-46-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD09835631 InChI Key: USRZZPHRQZGXFH-UHFFFAOYSA-N Synonym: 4-methylindolin-2-one,4-methyloxindole,4-methyl-2-oxo-1,2-dihydro-indole,2h-indol-2-one, 1,3-dihydro-4-methyl,4-methylindolinon,4-methyl-oxindole,4-methyl-2-oxindole,4-methyl-1,3-dihydro-indol-2-one,4-methyl-1,3-dihydro-indole-2-one,4-methyl-2,3-dihydro-1h-indol-2-one PubChem CID: 12579382 IUPAC Name: 4-methyl-2,3-dihydro-1H-indol-2-one SMILES: CC1=C2CC(=O)NC2=CC=C1
| PubChem CID | 12579382 |
|---|---|
| CAS | 13220-46-7 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD09835631 |
| SMILES | CC1=C2CC(=O)NC2=CC=C1 |
| Synonym | 4-methylindolin-2-one,4-methyloxindole,4-methyl-2-oxo-1,2-dihydro-indole,2h-indol-2-one, 1,3-dihydro-4-methyl,4-methylindolinon,4-methyl-oxindole,4-methyl-2-oxindole,4-methyl-1,3-dihydro-indol-2-one,4-methyl-1,3-dihydro-indole-2-one,4-methyl-2,3-dihydro-1h-indol-2-one |
| IUPAC Name | 4-methyl-2,3-dihydro-1H-indol-2-one |
| InChI Key | USRZZPHRQZGXFH-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
Butyl Butyrate, 98%, Spectrum™ Chemical
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CAS: 109-21-7
| CAS | 109-21-7 |
|---|
2-(1-Adamantyl)acetic acid, 97%, Thermo Scientific™
CAS: 4942-47-6 Molecular Formula: C12H17O2 Molecular Weight (g/mol): 193.27 MDL Number: MFCD00074728 InChI Key: AOTQGWFNFTVXNQ-UHFFFAOYSA-M Synonym: 1-adamantaneacetic acid,2-adamantan-1-yl acetic acid,1-adamantylacetic acid,1-adamantane acetic acid,adamantan-1-ylacetic acid,2-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 dec-1-ylacetic acid,adamantan-1-yl-acetic acid,1-carboxymethyl adamantane PubChem CID: 123221 SMILES: [O-]C(=O)CC12CC3CC(CC(C3)C1)C2
| PubChem CID | 123221 |
|---|---|
| CAS | 4942-47-6 |
| Molecular Weight (g/mol) | 193.27 |
| MDL Number | MFCD00074728 |
| SMILES | [O-]C(=O)CC12CC3CC(CC(C3)C1)C2 |
| Synonym | 1-adamantaneacetic acid,2-adamantan-1-yl acetic acid,1-adamantylacetic acid,1-adamantane acetic acid,adamantan-1-ylacetic acid,2-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 dec-1-ylacetic acid,adamantan-1-yl-acetic acid,1-carboxymethyl adamantane |
| InChI Key | AOTQGWFNFTVXNQ-UHFFFAOYSA-M |
| Molecular Formula | C12H17O2 |
Ethyl 5,5-dimethyl-2,4-dioxohexanoate, 97%, Thermo Scientific™
CAS: 13395-36-3 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 InChI Key: NIMKIMUBJFWPTD-UHFFFAOYSA-N Synonym: ethyl trimethylacetopyruvate,hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester,5,5-dimethyl-2,4-dioxo-hexanoic acid ethyl ester,5,5-dimethyl-2,4-dioxohexanoic acid ethyl ester,ethyl pivaloylpyruvate,pivaloylpyruvic acid ethyl ester,3-pivaloylpyruvic acid ethyl ester,ethyl5,5-dimethyl-2,4-dioxohexanoate,trimethylacetopyruvic acid ethyl ester,ethyl 5,5-dimethyl-2,4-dioxo-hexanoate PubChem CID: 83403 IUPAC Name: ethyl 5,5-dimethyl-2,4-dioxohexanoate SMILES: CCOC(=O)C(=O)CC(=O)C(C)(C)C
| PubChem CID | 83403 |
|---|---|
| CAS | 13395-36-3 |
| Molecular Weight (g/mol) | 200.234 |
| SMILES | CCOC(=O)C(=O)CC(=O)C(C)(C)C |
| Synonym | ethyl trimethylacetopyruvate,hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester,5,5-dimethyl-2,4-dioxo-hexanoic acid ethyl ester,5,5-dimethyl-2,4-dioxohexanoic acid ethyl ester,ethyl pivaloylpyruvate,pivaloylpyruvic acid ethyl ester,3-pivaloylpyruvic acid ethyl ester,ethyl5,5-dimethyl-2,4-dioxohexanoate,trimethylacetopyruvic acid ethyl ester,ethyl 5,5-dimethyl-2,4-dioxo-hexanoate |
| IUPAC Name | ethyl 5,5-dimethyl-2,4-dioxohexanoate |
| InChI Key | NIMKIMUBJFWPTD-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
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 |
Isopropyl formate, 98%
CAS: 625-55-8 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00014127 InChI Key: RMOUBSOVHSONPZ-UHFFFAOYSA-N Synonym: isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2 PubChem CID: 12257 IUPAC Name: propan-2-yl formate SMILES: CC(C)OC=O
| PubChem CID | 12257 |
|---|---|
| CAS | 625-55-8 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00014127 |
| SMILES | CC(C)OC=O |
| Synonym | isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2 |
| IUPAC Name | propan-2-yl formate |
| InChI Key | RMOUBSOVHSONPZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
Biphenyl-3,3',5,5'-tetracarboxylic acid, Thermo Scientific Chemicals
CAS: 4371-28-2 Molecular Formula: C16H10O8 Molecular Weight (g/mol): 330.25 MDL Number: MFCD16621475 InChI Key: QURGMSIQFRADOZ-UHFFFAOYSA-N IUPAC Name: [1,1'-biphenyl]-3,3',5,5'-tetracarboxylic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
| CAS | 4371-28-2 |
|---|---|
| Molecular Weight (g/mol) | 330.25 |
| MDL Number | MFCD16621475 |
| SMILES | OC(=O)C1=CC(=CC(=C1)C(O)=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O |
| IUPAC Name | [1,1'-biphenyl]-3,3',5,5'-tetracarboxylic acid |
| InChI Key | QURGMSIQFRADOZ-UHFFFAOYSA-N |
| Molecular Formula | C16H10O8 |
5-Acetylvaleric acid, 96%
CAS: 3128-07-2 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00051479 InChI Key: IZOQMUVIDMLRDC-UHFFFAOYSA-N Synonym: 5-acetylvaleric acid,heptanoic acid, 6-oxo,5-aceto valeric acid,6-oxo-heptanoic acid,unii-4u902i8qzo,5-acetylvalericacid,6-oxoenanthic acid,6-ketoheptanoic acid,5-acetylpentanoic acid,# PubChem CID: 98810 IUPAC Name: 6-oxoheptanoic acid SMILES: CC(=O)CCCCC(=O)O
| PubChem CID | 98810 |
|---|---|
| CAS | 3128-07-2 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00051479 |
| SMILES | CC(=O)CCCCC(=O)O |
| Synonym | 5-acetylvaleric acid,heptanoic acid, 6-oxo,5-aceto valeric acid,6-oxo-heptanoic acid,unii-4u902i8qzo,5-acetylvalericacid,6-oxoenanthic acid,6-ketoheptanoic acid,5-acetylpentanoic acid,# |
| IUPAC Name | 6-oxoheptanoic acid |
| InChI Key | IZOQMUVIDMLRDC-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
cis-Aconitic acid, tech. 85%
CAS: 585-84-2 Molecular Formula: C6H6O6 Molecular Weight (g/mol): 174.11 MDL Number: MFCD00063184 InChI Key: GTZCVFVGUGFEME-HNQUOIGGSA-N Synonym: cis-aconitic acid,cis-aconitate,achilleic acid,citridinic acid,equisetic acid,pyrocitric acid,achilleaic acid,citridic acid,cis-aconic acid,aconitic acid PubChem CID: 643757 ChEBI: CHEBI:32805 SMILES: OC(=O)C\C(=C/C(O)=O)C(O)=O
| PubChem CID | 643757 |
|---|---|
| CAS | 585-84-2 |
| Molecular Weight (g/mol) | 174.11 |
| ChEBI | CHEBI:32805 |
| MDL Number | MFCD00063184 |
| SMILES | OC(=O)C\C(=C/C(O)=O)C(O)=O |
| Synonym | cis-aconitic acid,cis-aconitate,achilleic acid,citridinic acid,equisetic acid,pyrocitric acid,achilleaic acid,citridic acid,cis-aconic acid,aconitic acid |
| InChI Key | GTZCVFVGUGFEME-HNQUOIGGSA-N |
| Molecular Formula | C6H6O6 |
EDTA, Dipotassium Salt Dihydrate, MP Biomedicals
CAS: 2001-94-7 Molecular Formula: C10H16K2N2O8 Molecular Weight (g/mol): 370.441 InChI Key: MGDKBCNOUDORNI-UHFFFAOYSA-N Synonym: dipotassium dihydrogen ethylenediaminetetraacetate PubChem CID: 87063472 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;potassium SMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[K].[K]
| PubChem CID | 87063472 |
|---|---|
| CAS | 2001-94-7 |
| Molecular Weight (g/mol) | 370.441 |
| SMILES | C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[K].[K] |
| Synonym | dipotassium dihydrogen ethylenediaminetetraacetate |
| IUPAC Name | 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;potassium |
| InChI Key | MGDKBCNOUDORNI-UHFFFAOYSA-N |
| Molecular Formula | C10H16K2N2O8 |