Carboxylic acids and derivatives
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Citric acid, trisodium salt dihydrate, ACS reagent
CAS: 4-3-6132 Molecular Formula: C6H5Na3O7·2H2O Molecular Weight (g/mol): 294.09 InChI Key: NLJMYIDDQXHKNR-UHFFFAOYSA-K Synonym: trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate PubChem CID: 71474 ChEBI: CHEBI:32142 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
| PubChem CID | 71474 |
|---|---|
| CAS | 4-3-6132 |
| Molecular Weight (g/mol) | 294.09 |
| ChEBI | CHEBI:32142 |
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+] |
| Synonym | trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate |
| IUPAC Name | trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate |
| InChI Key | NLJMYIDDQXHKNR-UHFFFAOYSA-K |
| Molecular Formula | C6H5Na3O7·2H2O |
Diazolidinyl urea, MP Biomedicals™
CAS: 78491-02-8 Molecular Formula: C8H14N4O7 Molecular Weight (g/mol): 278.221 InChI Key: SOROIESOUPGGFO-UHFFFAOYSA-N Synonym: diazolidinylurea,diazolidinyl urea,1-1,3-bis hydroxymethyl-2,5-dioxoimidazolidin-4-yl-1,3-bis hydroxymethyl urea,germall ii,germall 11,imidazolidinyl urea 11,n,n'-bis hydroxymethyl urea,dsstox_cid_9559,dsstox_rid_78776 PubChem CID: 62277 IUPAC Name: 1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea SMILES: C(NC(=O)N(CO)C1C(=O)N(C(=O)N1CO)CO)O
| PubChem CID | 62277 |
|---|---|
| CAS | 78491-02-8 |
| Molecular Weight (g/mol) | 278.221 |
| SMILES | C(NC(=O)N(CO)C1C(=O)N(C(=O)N1CO)CO)O |
| Synonym | diazolidinylurea,diazolidinyl urea,1-1,3-bis hydroxymethyl-2,5-dioxoimidazolidin-4-yl-1,3-bis hydroxymethyl urea,germall ii,germall 11,imidazolidinyl urea 11,n,n'-bis hydroxymethyl urea,dsstox_cid_9559,dsstox_rid_78776 |
| IUPAC Name | 1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea |
| InChI Key | SOROIESOUPGGFO-UHFFFAOYSA-N |
| Molecular Formula | C8H14N4O7 |
2-Chloroacetamide, 98%
CAS: 79-07-2 Molecular Formula: C2H4ClNO Molecular Weight (g/mol): 93.51 MDL Number: MFCD00008027 InChI Key: VXIVSQZSERGHQP-UHFFFAOYSA-N Synonym: chloroacetamide,acetamide, 2-chloro,chloracetamide,2-chloroethanamide,microcide,mergal af,chloracetamid,usaf do-29,2-chloracetamide,2-chloro-acetamide PubChem CID: 6580 IUPAC Name: 2-chloroacetamide SMILES: NC(=O)CCl
| PubChem CID | 6580 |
|---|---|
| CAS | 79-07-2 |
| Molecular Weight (g/mol) | 93.51 |
| MDL Number | MFCD00008027 |
| SMILES | NC(=O)CCl |
| Synonym | chloroacetamide,acetamide, 2-chloro,chloracetamide,2-chloroethanamide,microcide,mergal af,chloracetamid,usaf do-29,2-chloracetamide,2-chloro-acetamide |
| IUPAC Name | 2-chloroacetamide |
| InChI Key | VXIVSQZSERGHQP-UHFFFAOYSA-N |
| Molecular Formula | C2H4ClNO |
Methyl formate, 98%, for spectroscopy
CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O
| PubChem CID | 7865 |
|---|---|
| CAS | 107-31-3 |
| Molecular Weight (g/mol) | 60.05 |
| ChEBI | CHEBI:77699 |
| MDL Number | MFCD00003291 |
| SMILES | COC=O |
| Synonym | formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 |
| IUPAC Name | methyl formate |
| InChI Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| Molecular Formula | C2H4O2 |
Calcium propionate, 98+%
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 |
3-(Methylthio)propionic acid, 98%
CAS: 646-01-5 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00059635 InChI Key: CAOMCZAIALVUPA-UHFFFAOYSA-N Synonym: 3-methylthio propionic acid,3-methylthiopropionate,3-methylthiopropionic acid,4-thiapentanoic acid,3-methylsulfanyl propanoic acid,propanoic acid, 3-methylthio,3-methylmercaptopropionic acid,unii-f523ali47d,3-methylthio propanoic acid,propionic acid, 3-methylthio PubChem CID: 563 ChEBI: CHEBI:1438 IUPAC Name: 3-methylsulfanylpropanoic acid SMILES: CSCCC(=O)O
| PubChem CID | 563 |
|---|---|
| CAS | 646-01-5 |
| Molecular Weight (g/mol) | 120.166 |
| ChEBI | CHEBI:1438 |
| MDL Number | MFCD00059635 |
| SMILES | CSCCC(=O)O |
| Synonym | 3-methylthio propionic acid,3-methylthiopropionate,3-methylthiopropionic acid,4-thiapentanoic acid,3-methylsulfanyl propanoic acid,propanoic acid, 3-methylthio,3-methylmercaptopropionic acid,unii-f523ali47d,3-methylthio propanoic acid,propionic acid, 3-methylthio |
| IUPAC Name | 3-methylsulfanylpropanoic acid |
| InChI Key | CAOMCZAIALVUPA-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2S |
Ethylenediaminetetraacetic Acid 98.0+%, TCI America™
CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: (Ethylenedinitrilo)tetraacetic Acid, EDTA 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 | (Ethylenedinitrilo)tetraacetic Acid, EDTA |
| IUPAC Name | 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid |
| InChI Key | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
| Molecular Formula | C10H16N2O8 |
Sodium glycolate, 97%
CAS: 2836-32-0 Molecular Formula: C2H3NaO3 Molecular Weight (g/mol): 98.033 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) | 98.033 |
| 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 |
N-Vinylphthalimide, 99%
CAS: 3485-84-5 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.17 MDL Number: MFCD00078446 InChI Key: IGDLZDCWMRPMGL-UHFFFAOYSA-N Synonym: n-vinylphthalimide,2-vinylisoindoline-1,3-dione,phthalimide, n-vinyl,1h-isoindole-1,3 2h-dione, 2-ethenyl,2-vinyl-1h-isoindole-1,3 2h-dione,2-ethenyl-1h-isoindole-1,3 2h-dione,2-ethenyl-1,3-dihydro-1,3-dioxoisoindole,2-ethenyl-2,3-dihydro-1h-isoindole-1,3-dione,2-vinylbenzo c azolidine-1,3-dione,n-vinylphtalimide PubChem CID: 77035 SMILES: C=CN1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 77035 |
|---|---|
| CAS | 3485-84-5 |
| Molecular Weight (g/mol) | 173.17 |
| MDL Number | MFCD00078446 |
| SMILES | C=CN1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-vinylphthalimide,2-vinylisoindoline-1,3-dione,phthalimide, n-vinyl,1h-isoindole-1,3 2h-dione, 2-ethenyl,2-vinyl-1h-isoindole-1,3 2h-dione,2-ethenyl-1h-isoindole-1,3 2h-dione,2-ethenyl-1,3-dihydro-1,3-dioxoisoindole,2-ethenyl-2,3-dihydro-1h-isoindole-1,3-dione,2-vinylbenzo c azolidine-1,3-dione,n-vinylphtalimide |
| InChI Key | IGDLZDCWMRPMGL-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO2 |
Thermo Scientific Chemicals Ethylenediaminetetraacetic acid, tripotassium salt dihydrate, 99+%
CAS: 65501-24-8 Molecular Formula: C10H13K3N2O8·2H2O Molecular Weight (g/mol): 442.56 InChI Key: MAPFUJCWRWFQIY-UHFFFAOYSA-K Synonym: ethylenediaminetetraacetic acid tripotassium salt dihydrate,edta tripotassium salt,edta tripotassium salt dihydrate,tripotassium ethylenediaminetetraacetate dihydrate,potassium 2,2'-2-carboxylatomethyl carboxymethyl amino ethyl azanediyl diacetate dihydrate,tripotassium 2-2-bis carboxylatomethyl amino ethyl carboxymethyl amino acetate dihydrate,edta tripotassium salt, dihydrate,ethylenediaminetetraacetic acid, tripotassium salt dihydrate,ethylenediaminetetraacetic acid tripotassium salt dihydrate titration PubChem CID: 2733162 IUPAC Name: tripotassium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;dihydrate SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.[K+].[K+].[K+]
| PubChem CID | 2733162 |
|---|---|
| CAS | 65501-24-8 |
| Molecular Weight (g/mol) | 442.56 |
| SMILES | C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.[K+].[K+].[K+] |
| Synonym | ethylenediaminetetraacetic acid tripotassium salt dihydrate,edta tripotassium salt,edta tripotassium salt dihydrate,tripotassium ethylenediaminetetraacetate dihydrate,potassium 2,2'-2-carboxylatomethyl carboxymethyl amino ethyl azanediyl diacetate dihydrate,tripotassium 2-2-bis carboxylatomethyl amino ethyl carboxymethyl amino acetate dihydrate,edta tripotassium salt, dihydrate,ethylenediaminetetraacetic acid, tripotassium salt dihydrate,ethylenediaminetetraacetic acid tripotassium salt dihydrate titration |
| IUPAC Name | tripotassium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;dihydrate |
| InChI Key | MAPFUJCWRWFQIY-UHFFFAOYSA-K |
| Molecular Formula | C10H13K3N2O8·2H2O |
Isoamyl acetate, 99%, pure, mixture of 2- and 3-Methylbutyl acetate
CAS: 123-92-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00008946 InChI Key: MLFHJEHSLIIPHL-UHFFFAOYSA-N Synonym: isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate PubChem CID: 31276 ChEBI: CHEBI:31725 IUPAC Name: 3-methylbutyl acetate SMILES: CC(C)CCOC(C)=O
| PubChem CID | 31276 |
|---|---|
| CAS | 123-92-2 |
| Molecular Weight (g/mol) | 130.19 |
| ChEBI | CHEBI:31725 |
| MDL Number | MFCD00008946 |
| SMILES | CC(C)CCOC(C)=O |
| Synonym | isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate |
| IUPAC Name | 3-methylbutyl acetate |
| InChI Key | MLFHJEHSLIIPHL-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Thermo Scientific Chemicals Ethylenediaminetetraacetic acid, 99.5%, ACS reagent
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 |
N,N-Diethylformamide, 99%
CAS: 617-84-5 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.15 MDL Number: MFCD00003287 InChI Key: SUAKHGWARZSWIH-UHFFFAOYSA-N Synonym: diethylformamide,formamide, n,n-diethyl,n-formyldiethylamine,diethyl formamide,formyldiethylamine,diethylamid kyseliny mravenci,n,n-diethylcarboxamide,diethylamid kyseliny mravenci czech,diethyl-formamide,formamide, diethyl PubChem CID: 12051 IUPAC Name: N,N-diethylformamide SMILES: CCN(CC)C=O
| PubChem CID | 12051 |
|---|---|
| CAS | 617-84-5 |
| Molecular Weight (g/mol) | 101.15 |
| MDL Number | MFCD00003287 |
| SMILES | CCN(CC)C=O |
| Synonym | diethylformamide,formamide, n,n-diethyl,n-formyldiethylamine,diethyl formamide,formyldiethylamine,diethylamid kyseliny mravenci,n,n-diethylcarboxamide,diethylamid kyseliny mravenci czech,diethyl-formamide,formamide, diethyl |
| IUPAC Name | N,N-diethylformamide |
| InChI Key | SUAKHGWARZSWIH-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
1,3,5-Benzenetricarboxylic Acid 98.0+%, TCI America™
CAS: 554-95-0 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002517 InChI Key: QMKYBPDZANOJGF-UHFFFAOYSA-N Synonym: trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 PubChem CID: 11138 ChEBI: CHEBI:46032 IUPAC Name: benzene-1,3,5-tricarboxylic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
| PubChem CID | 11138 |
|---|---|
| CAS | 554-95-0 |
| Molecular Weight (g/mol) | 210.14 |
| ChEBI | CHEBI:46032 |
| MDL Number | MFCD00002517 |
| SMILES | OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O |
| Synonym | trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 |
| IUPAC Name | benzene-1,3,5-tricarboxylic acid |
| InChI Key | QMKYBPDZANOJGF-UHFFFAOYSA-N |
| Molecular Formula | C9H6O6 |