Carboxylic acids and derivatives
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3,4,6-Tri-O-benzoyl-D-glucal, 97%
CAS: 13322-90-2 Molecular Formula: C27H22O7 Molecular Weight (g/mol): 458.466 MDL Number: MFCD00061643 InChI Key: OZFFEFRJEYIEGH-SMIHKQSGSA-N Synonym: 3,4,6-tri-o-benzoyl-d-glucal,tri-o-benzoyl-d-glucal,1,2-dideoxy-d-arabino-1-hexenopyranose 3,4,6-tribenzoate,2r,3s,4r-3,4-bis benzoyloxy-3,4-dihydro-2h-pyran-2-yl methyl benzoate PubChem CID: 11134283 IUPAC Name: [(2R,3S,4R)-3,4-dibenzoyloxy-3,4-dihydro-2H-pyran-2-yl]methyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C=CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
| PubChem CID | 11134283 |
|---|---|
| CAS | 13322-90-2 |
| Molecular Weight (g/mol) | 458.466 |
| MDL Number | MFCD00061643 |
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C=CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| Synonym | 3,4,6-tri-o-benzoyl-d-glucal,tri-o-benzoyl-d-glucal,1,2-dideoxy-d-arabino-1-hexenopyranose 3,4,6-tribenzoate,2r,3s,4r-3,4-bis benzoyloxy-3,4-dihydro-2h-pyran-2-yl methyl benzoate |
| IUPAC Name | [(2R,3S,4R)-3,4-dibenzoyloxy-3,4-dihydro-2H-pyran-2-yl]methyl benzoate |
| InChI Key | OZFFEFRJEYIEGH-SMIHKQSGSA-N |
| Molecular Formula | C27H22O7 |
Citric acid, trilithium salt tetrahydrate, 98%, pure, Thermo Scientific Chemicals
CAS: 6080-58-6 MDL Number: MFCD00150030 InChI Key: HXGWMCJZLNWEBC-UHFFFAOYSA-K Synonym: lithium citrate tetrahydrate,unii-5z6e9k79yv,trilithium citrate tetrahydrate,lithium citrate usp,citric acid trilithium salt tetrahydrate,tri-lithium citrate tetrahydrate,lithium citrate tribasic tetrahydrate,lithonate tn,1,2,3-propanetricarboxylic acid, 2-hydroxy-trilithium salt tetrahydrate PubChem CID: 2724118 ChEBI: CHEBI:64754 IUPAC Name: trilithium;2-hydroxypropane-1,2,3-tricarboxylate;tetrahydrate SMILES: [Li+].[Li+].[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O
| PubChem CID | 2724118 |
|---|---|
| CAS | 6080-58-6 |
| ChEBI | CHEBI:64754 |
| MDL Number | MFCD00150030 |
| SMILES | [Li+].[Li+].[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O |
| Synonym | lithium citrate tetrahydrate,unii-5z6e9k79yv,trilithium citrate tetrahydrate,lithium citrate usp,citric acid trilithium salt tetrahydrate,tri-lithium citrate tetrahydrate,lithium citrate tribasic tetrahydrate,lithonate tn,1,2,3-propanetricarboxylic acid, 2-hydroxy-trilithium salt tetrahydrate |
| IUPAC Name | trilithium;2-hydroxypropane-1,2,3-tricarboxylate;tetrahydrate |
| InChI Key | HXGWMCJZLNWEBC-UHFFFAOYSA-K |
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 |
1,3,5-Tris(4-carboxyphenyl)benzene, Spectrum™ Chemical
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CAS: 50446-44-1
| CAS | 50446-44-1 |
|---|
Triethyl Citrate, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 77-93-0 Molecular Formula: C12H20O7 Molecular Weight (g/mol): 276.29 InChI Key: DOOTYTYQINUNNV-UHFFFAOYSA-N IUPAC Name: 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC
| CAS | 77-93-0 |
|---|---|
| Molecular Weight (g/mol) | 276.29 |
| SMILES | CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC |
| IUPAC Name | 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | DOOTYTYQINUNNV-UHFFFAOYSA-N |
| Molecular Formula | C12H20O7 |
Triethyl Citrate, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 77-93-0 Molecular Formula: C12H20O7 Molecular Weight (g/mol): 276.29 InChI Key: DOOTYTYQINUNNV-UHFFFAOYSA-N IUPAC Name: 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC
| CAS | 77-93-0 |
|---|---|
| Molecular Weight (g/mol) | 276.29 |
| SMILES | CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC |
| IUPAC Name | 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | DOOTYTYQINUNNV-UHFFFAOYSA-N |
| Molecular Formula | C12H20O7 |
Sodium citrate, 99.8%, For ACS analysis, MP Biomedicals™
CAS: 1545801 Molecular Formula: C6H9Na3O9 Molecular Weight (g/mol): 294.1 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 | 1545801 |
| Molecular Weight (g/mol) | 294.1 |
| 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 | C6H9Na3O9 |
Citric acid monohydrate, technical, crystalline
CAS: 5949-29-1 Molecular Formula: C6H8O7·H2O Molecular Weight (g/mol): 210.15 InChI Key: YASYEJJMZJALEJ-UHFFFAOYSA-N Synonym: citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp PubChem CID: 22230 ChEBI: CHEBI:31404 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
| PubChem CID | 22230 |
|---|---|
| CAS | 5949-29-1 |
| Molecular Weight (g/mol) | 210.15 |
| ChEBI | CHEBI:31404 |
| SMILES | C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O |
| Synonym | citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate |
| InChI Key | YASYEJJMZJALEJ-UHFFFAOYSA-N |
| Molecular Formula | C6H8O7·H2O |
Sodium dihydrogen citrate, 99%
CAS: 18996-35-5 Molecular Formula: C6H10NaO7 Molecular Weight (g/mol): 217.129 MDL Number: MFCD00013067 InChI Key: SLWOXBQHKZPUNY-UHFFFAOYSA-N Synonym: bicitra,pneucid,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt,sodium dihydrogen citrate anhydrous,citric acid, sodium salt,citric acid sodium,sodium 2-hydroxy-1,2,3-propanetricarboxylate,2-hydroxypropane-1,2,3-tricarboxylic acid; sodium,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt 1:? PubChem CID: 131675399 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;molecular hydrogen;sodium SMILES: [HH].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na]
| PubChem CID | 131675399 |
|---|---|
| CAS | 18996-35-5 |
| Molecular Weight (g/mol) | 217.129 |
| MDL Number | MFCD00013067 |
| SMILES | [HH].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na] |
| Synonym | bicitra,pneucid,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt,sodium dihydrogen citrate anhydrous,citric acid, sodium salt,citric acid sodium,sodium 2-hydroxy-1,2,3-propanetricarboxylate,2-hydroxypropane-1,2,3-tricarboxylic acid; sodium,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt 1:? |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;molecular hydrogen;sodium |
| InChI Key | SLWOXBQHKZPUNY-UHFFFAOYSA-N |
| Molecular Formula | C6H10NaO7 |
Citric acid, diammonium salt, 98%, pure
CAS: 3012-65-5 Molecular Formula: C6H14N2O7 Molecular Weight (g/mol): 226.19 MDL Number: MFCD00013068 InChI Key: YXVFQADLFFNVDS-UHFFFAOYSA-N Synonym: ammonium citrate dibasic,ammonium hydrogencitrate,diammonium hydrogen citrate,citric acid diammonium salt,citric acid ammonium salt,di-ammonium hydrogen citrate,citro diamine,citric acid diamine,ammonium citrate, dibasic, acs,ammonium citrate dibasic, puriss PubChem CID: 13710713 ChEBI: CHEBI:63076 IUPAC Name: azane;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: [NH4+].[NH4+].OC(=O)C(O)(CC([O-])=O)CC([O-])=O
| PubChem CID | 13710713 |
|---|---|
| CAS | 3012-65-5 |
| Molecular Weight (g/mol) | 226.19 |
| ChEBI | CHEBI:63076 |
| MDL Number | MFCD00013068 |
| SMILES | [NH4+].[NH4+].OC(=O)C(O)(CC([O-])=O)CC([O-])=O |
| Synonym | ammonium citrate dibasic,ammonium hydrogencitrate,diammonium hydrogen citrate,citric acid diammonium salt,citric acid ammonium salt,di-ammonium hydrogen citrate,citro diamine,citric acid diamine,ammonium citrate, dibasic, acs,ammonium citrate dibasic, puriss |
| IUPAC Name | azane;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | YXVFQADLFFNVDS-UHFFFAOYSA-N |
| Molecular Formula | C6H14N2O7 |
2-Chlorodibenzo[b,f]-1,4-oxazepin-11(10H)-one, 97%
CAS: 3158-91-6 Molecular Formula: C13H8ClNO2 Molecular Weight (g/mol): 245.662 MDL Number: MFCD06658244 InChI Key: ZAGINEPNYIZLLO-UHFFFAOYSA-N Synonym: 2-chlorodibenz b,f 1,4 oxazepin-11 10h-one,2-chlorodibenzo b,f 1,4 oxazepin-11 10h-one,2-chloro-10,11-dihydro-11-oxo-dibenzo b,f 1,4 oxazepine,unii-xtg2e7m36o,xtg2e7m36o,2-chlorodibenzo b,f-1,4-oxazepin-11-one,2-chlorodibenzo b,f-1,4-oxazepin-11 10h-one,dibenz b,f 1,4 oxazepin-11 10h-one, 2-chloro,13-chloro-2-oxa-9-azatricyclo 9.4.0.0 3 ,? pentadeca-1 15 ,3 8 ,4,6,11,13-hexaen-10-one PubChem CID: 13000266 IUPAC Name: 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one SMILES: C1=CC=C2C(=C1)NC(=O)C3=C(O2)C=CC(=C3)Cl
| PubChem CID | 13000266 |
|---|---|
| CAS | 3158-91-6 |
| Molecular Weight (g/mol) | 245.662 |
| MDL Number | MFCD06658244 |
| SMILES | C1=CC=C2C(=C1)NC(=O)C3=C(O2)C=CC(=C3)Cl |
| Synonym | 2-chlorodibenz b,f 1,4 oxazepin-11 10h-one,2-chlorodibenzo b,f 1,4 oxazepin-11 10h-one,2-chloro-10,11-dihydro-11-oxo-dibenzo b,f 1,4 oxazepine,unii-xtg2e7m36o,xtg2e7m36o,2-chlorodibenzo b,f-1,4-oxazepin-11-one,2-chlorodibenzo b,f-1,4-oxazepin-11 10h-one,dibenz b,f 1,4 oxazepin-11 10h-one, 2-chloro,13-chloro-2-oxa-9-azatricyclo 9.4.0.0 3 ,? pentadeca-1 15 ,3 8 ,4,6,11,13-hexaen-10-one |
| IUPAC Name | 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one |
| InChI Key | ZAGINEPNYIZLLO-UHFFFAOYSA-N |
| Molecular Formula | C13H8ClNO2 |
5-Hydroxyoxindole, 96%, Thermo Scientific Chemicals
CAS: 3416-18-0 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 InChI Key: ZGTUSQAQXWSMDW-UHFFFAOYSA-N Synonym: 5-hydroxyoxindole,5-hydroxyindolin-2-one,5-hydroxy-1,3-dihydro-indol-2-one,2,3-dihydro-5-hydroxyindol-2-one,5-hydroxy-2-oxyindole,5-hydroxy-2-indolinone,5-hydroxy-1,3-dihydro-2h-indol-2-one,5-hydroxy-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-hydroxy,5-hydroxy-oxindole PubChem CID: 76955 IUPAC Name: 5-hydroxy-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)O)NC1=O
| PubChem CID | 76955 |
|---|---|
| CAS | 3416-18-0 |
| Molecular Weight (g/mol) | 149.15 |
| SMILES | C1C2=C(C=CC(=C2)O)NC1=O |
| Synonym | 5-hydroxyoxindole,5-hydroxyindolin-2-one,5-hydroxy-1,3-dihydro-indol-2-one,2,3-dihydro-5-hydroxyindol-2-one,5-hydroxy-2-oxyindole,5-hydroxy-2-indolinone,5-hydroxy-1,3-dihydro-2h-indol-2-one,5-hydroxy-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-hydroxy,5-hydroxy-oxindole |
| IUPAC Name | 5-hydroxy-1,3-dihydroindol-2-one |
| InChI Key | ZGTUSQAQXWSMDW-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2 |
2-Chloro-N,N-diethylacetamide, 97%
CAS: 2315-36-8 Molecular Formula: C6H12ClNO Molecular Weight (g/mol): 149.618 MDL Number: MFCD00000928 InChI Key: CQQUWTMMFMJEFE-UHFFFAOYSA-N Synonym: n,n-diethylchloroacetamide,cdea,acetamide, 2-chloro-n,n-diethyl,n,n-diethyl-2-chloroacetamide,n-chloroacetyldiethylamine,caswell no. 333g,diethylamid kyseliny chloroctove,alpha-chloro-n,n-diethylacetamide,.alpha.-chloro-n,n-diethylacetamide,n,n,-diethylchloroacetamide PubChem CID: 16844 IUPAC Name: 2-chloro-N,N-diethylacetamide SMILES: CCN(CC)C(=O)CCl
| PubChem CID | 16844 |
|---|---|
| CAS | 2315-36-8 |
| Molecular Weight (g/mol) | 149.618 |
| MDL Number | MFCD00000928 |
| SMILES | CCN(CC)C(=O)CCl |
| Synonym | n,n-diethylchloroacetamide,cdea,acetamide, 2-chloro-n,n-diethyl,n,n-diethyl-2-chloroacetamide,n-chloroacetyldiethylamine,caswell no. 333g,diethylamid kyseliny chloroctove,alpha-chloro-n,n-diethylacetamide,.alpha.-chloro-n,n-diethylacetamide,n,n,-diethylchloroacetamide |
| IUPAC Name | 2-chloro-N,N-diethylacetamide |
| InChI Key | CQQUWTMMFMJEFE-UHFFFAOYSA-N |
| Molecular Formula | C6H12ClNO |
N,N-Dimethylisobutyramide, 99%
CAS: 21678-37-5 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.176 MDL Number: MFCD00075378 InChI Key: GXMIHVHJTLPVKL-UHFFFAOYSA-N Synonym: n,n-dimethylisobutyramide,n,n,2-trimethylpropionamide,n,n-dimethyl-isobutyramide,acmc-20ak9x,n,n-dimethylisobutylamide,isobutyric acid dimethylamide,propanamide, n,n,2-trimethyl,propanamide,n,n,2-trimethyl,n,n-dimethyl2-methylpropionamide PubChem CID: 243415 IUPAC Name: N,N,2-trimethylpropanamide SMILES: CC(C)C(=O)N(C)C
| PubChem CID | 243415 |
|---|---|
| CAS | 21678-37-5 |
| Molecular Weight (g/mol) | 115.176 |
| MDL Number | MFCD00075378 |
| SMILES | CC(C)C(=O)N(C)C |
| Synonym | n,n-dimethylisobutyramide,n,n,2-trimethylpropionamide,n,n-dimethyl-isobutyramide,acmc-20ak9x,n,n-dimethylisobutylamide,isobutyric acid dimethylamide,propanamide, n,n,2-trimethyl,propanamide,n,n,2-trimethyl,n,n-dimethyl2-methylpropionamide |
| IUPAC Name | N,N,2-trimethylpropanamide |
| InChI Key | GXMIHVHJTLPVKL-UHFFFAOYSA-N |
| Molecular Formula | C6H13NO |
N,N-Dimethylpropionamide, 98+%
CAS: 758-96-3 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.149 MDL Number: MFCD00009301 InChI Key: MBHINSULENHCMF-UHFFFAOYSA-N Synonym: n,n-dimethylpropionamide,propanamide, n,n-dimethyl,dimethylamide of propionic acid,propionamide, n,n-dimethyl,n,n-dimethyl propionamide,acmc-209p0o,propionic acid dimethylamide,4-04-00-00184 beilstein handbook reference,ksc494e1j PubChem CID: 12965 IUPAC Name: N,N-dimethylpropanamide SMILES: CCC(=O)N(C)C
| PubChem CID | 12965 |
|---|---|
| CAS | 758-96-3 |
| Molecular Weight (g/mol) | 101.149 |
| MDL Number | MFCD00009301 |
| SMILES | CCC(=O)N(C)C |
| Synonym | n,n-dimethylpropionamide,propanamide, n,n-dimethyl,dimethylamide of propionic acid,propionamide, n,n-dimethyl,n,n-dimethyl propionamide,acmc-209p0o,propionic acid dimethylamide,4-04-00-00184 beilstein handbook reference,ksc494e1j |
| IUPAC Name | N,N-dimethylpropanamide |
| InChI Key | MBHINSULENHCMF-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |