Organic acids and derivatives
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Sodium Tartrate, Dihydrate, Purified, Spectrum™ Chemical
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CAS: 6106-24-7 Molecular Formula: C4H8Na2O8 Molecular Weight (g/mol): 230.08 MDL Number: MFCD00150035 InChI Key: FGJLAJMGHXGFDE-UDMGOBQRNA-L IUPAC Name: disodium (2R,3R)-2,3-dihydroxybutanedioate dihydrate SMILES: O.O.[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
| CAS | 6106-24-7 |
|---|---|
| Molecular Weight (g/mol) | 230.08 |
| MDL Number | MFCD00150035 |
| SMILES | O.O.[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O |
| IUPAC Name | disodium (2R,3R)-2,3-dihydroxybutanedioate dihydrate |
| InChI Key | FGJLAJMGHXGFDE-UDMGOBQRNA-L |
| Molecular Formula | C4H8Na2O8 |
Ethyl caprate, 99+%
CAS: 110-38-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.32 MDL Number: MFCD00009581 InChI Key: RGXWDWUGBIJHDO-UHFFFAOYSA-N Synonym: ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo PubChem CID: 8048 ChEBI: CHEBI:87430 IUPAC Name: ethyl decanoate SMILES: CCCCCCCCCC(=O)OCC
| PubChem CID | 8048 |
|---|---|
| CAS | 110-38-3 |
| Molecular Weight (g/mol) | 200.32 |
| ChEBI | CHEBI:87430 |
| MDL Number | MFCD00009581 |
| SMILES | CCCCCCCCCC(=O)OCC |
| Synonym | ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo |
| IUPAC Name | ethyl decanoate |
| InChI Key | RGXWDWUGBIJHDO-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |
Methyl 4-bromocrotonate, tech. 85%
CAS: 1117-71-1 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.01 MDL Number: MFCD00000246,MFCD09998308 InChI Key: RWIKCBHOVNDESJ-NSCUHMNNSA-N Synonym: methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester PubChem CID: 5369175 IUPAC Name: methyl (E)-4-bromobut-2-enoate SMILES: COC(=O)\C=C\CBr
| PubChem CID | 5369175 |
|---|---|
| CAS | 1117-71-1 |
| Molecular Weight (g/mol) | 179.01 |
| MDL Number | MFCD00000246,MFCD09998308 |
| SMILES | COC(=O)\C=C\CBr |
| Synonym | methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester |
| IUPAC Name | methyl (E)-4-bromobut-2-enoate |
| InChI Key | RWIKCBHOVNDESJ-NSCUHMNNSA-N |
| Molecular Formula | C5H7BrO2 |
Palladium(II) trifluoroacetate, 97%
CAS: 42196-31-6 Molecular Formula: C4F6O4Pd Molecular Weight (g/mol): 332.45 MDL Number: MFCD00013204 InChI Key: PBDBXAQKXCXZCJ-UHFFFAOYSA-L Synonym: palladium ii trifluoroacetate,palladium ii 2,2,2-trifluoroacetate,palladium 2+ ion ditrifluoroacetate,palladium trifluoroacetate,palladium 2+ ditrifluoroacetate,trifluoroacetic acid palladium ii salt,bis 2,2,2-trifluoroacetoxy palladium,acmc-209jo7,ksc235m3d PubChem CID: 2733347 IUPAC Name: palladium(2+);2,2,2-trifluoroacetate SMILES: [Pd++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
| PubChem CID | 2733347 |
|---|---|
| CAS | 42196-31-6 |
| Molecular Weight (g/mol) | 332.45 |
| MDL Number | MFCD00013204 |
| SMILES | [Pd++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F |
| Synonym | palladium ii trifluoroacetate,palladium ii 2,2,2-trifluoroacetate,palladium 2+ ion ditrifluoroacetate,palladium trifluoroacetate,palladium 2+ ditrifluoroacetate,trifluoroacetic acid palladium ii salt,bis 2,2,2-trifluoroacetoxy palladium,acmc-209jo7,ksc235m3d |
| IUPAC Name | palladium(2+);2,2,2-trifluoroacetate |
| InChI Key | PBDBXAQKXCXZCJ-UHFFFAOYSA-L |
| Molecular Formula | C4F6O4Pd |
(+)-Griseofulvin, 97%
CAS: 126-07-8 Molecular Formula: C17H17ClO6 Molecular Weight (g/mol): 352.767 MDL Number: MFCD00082343 InChI Key: DDUHZTYCFQRHIY-RBHXEPJQSA-N Synonym: griseofulvin,+-griseofulvin,amudane,fulvicin,griseofulvina,griseofulvinum,grisactin,grisefuline,grisovin,griseofulvine PubChem CID: 441140 ChEBI: CHEBI:27779 IUPAC Name: (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione SMILES: CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
| PubChem CID | 441140 |
|---|---|
| CAS | 126-07-8 |
| Molecular Weight (g/mol) | 352.767 |
| ChEBI | CHEBI:27779 |
| MDL Number | MFCD00082343 |
| SMILES | CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC |
| Synonym | griseofulvin,+-griseofulvin,amudane,fulvicin,griseofulvina,griseofulvinum,grisactin,grisefuline,grisovin,griseofulvine |
| IUPAC Name | (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione |
| InChI Key | DDUHZTYCFQRHIY-RBHXEPJQSA-N |
| Molecular Formula | C17H17ClO6 |
n-Butyl propionate, 99+%
CAS: 590-01-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009448 InChI Key: BTMVHUNTONAYDX-UHFFFAOYSA-N Synonym: butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate PubChem CID: 11529 IUPAC Name: butyl propanoate SMILES: CCCCOC(=O)CC
| PubChem CID | 11529 |
|---|---|
| CAS | 590-01-2 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00009448 |
| SMILES | CCCCOC(=O)CC |
| Synonym | butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate |
| IUPAC Name | butyl propanoate |
| InChI Key | BTMVHUNTONAYDX-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
n-Butyl lactate, 99%
CAS: 138-22-7 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00004519 InChI Key: MRABAEUHTLLEML-UHFFFAOYNA-N Synonym: butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205 PubChem CID: 8738 IUPAC Name: butyl 2-hydroxypropanoate SMILES: CCCCOC(=O)C(C)O
| PubChem CID | 8738 |
|---|---|
| CAS | 138-22-7 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD00004519 |
| SMILES | CCCCOC(=O)C(C)O |
| Synonym | butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205 |
| IUPAC Name | butyl 2-hydroxypropanoate |
| InChI Key | MRABAEUHTLLEML-UHFFFAOYNA-N |
| Molecular Formula | C7H14O3 |
Phloroglucinol Dihydrate, 99%
CAS: 6099-90-7 Molecular Formula: C6H6O3·2H2O Molecular Weight (g/mol): 162.14 MDL Number: MFCD00149090 InChI Key: MPYXTIHPALVENR-UHFFFAOYSA-N Synonym: phloroglucinol dihydrate,benzene-1,3,5-triol dihydrate,1,3,5-trihydroxybenzene dihydrate,1,3,5-benzenetriol, dihydrate,phloroglucinol, dihydrate,sym-trihydroxybenze,unii-0x7b22brg1,ccris 6521,1,3,5-benzoltrioldihydrat,phloroglucinoldihydrate PubChem CID: 80196 IUPAC Name: benzene-1,3,5-triol;dihydrate SMILES: C1=C(C=C(C=C1O)O)O.O.O
| PubChem CID | 80196 |
|---|---|
| CAS | 6099-90-7 |
| Molecular Weight (g/mol) | 162.14 |
| MDL Number | MFCD00149090 |
| SMILES | C1=C(C=C(C=C1O)O)O.O.O |
| Synonym | phloroglucinol dihydrate,benzene-1,3,5-triol dihydrate,1,3,5-trihydroxybenzene dihydrate,1,3,5-benzenetriol, dihydrate,phloroglucinol, dihydrate,sym-trihydroxybenze,unii-0x7b22brg1,ccris 6521,1,3,5-benzoltrioldihydrat,phloroglucinoldihydrate |
| IUPAC Name | benzene-1,3,5-triol;dihydrate |
| InChI Key | MPYXTIHPALVENR-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3·2H2O |
Copper(II) Trifluoromethanesulfonate, 98%
CAS: 34946-82-2 Molecular Formula: C2CuF6O6S2 Molecular Weight (g/mol): 361.69 MDL Number: MFCD00077492 InChI Key: GZWXEFRPSWBAGC-UHFFFAOYSA-N Synonym: copper; trifluoromethanesulfonic acid PubChem CID: 45051791 IUPAC Name: copper;trifluoromethanesulfonic acid SMILES: C(F)(F)(F)S(=O)(=O)O.[Cu]
| PubChem CID | 45051791 |
|---|---|
| CAS | 34946-82-2 |
| Molecular Weight (g/mol) | 361.69 |
| MDL Number | MFCD00077492 |
| SMILES | C(F)(F)(F)S(=O)(=O)O.[Cu] |
| Synonym | copper; trifluoromethanesulfonic acid |
| IUPAC Name | copper;trifluoromethanesulfonic acid |
| InChI Key | GZWXEFRPSWBAGC-UHFFFAOYSA-N |
| Molecular Formula | C2CuF6O6S2 |
Domperidone
CAS: 57808-66-9 Molecular Formula: C22H24ClN5O2 Molecular Weight (g/mol): 425.917 MDL Number: MFCD00069256 InChI Key: FGXWKSZFVQUSTL-UHFFFAOYSA-N Synonym: domperidone,motilium,nauzelin,domperidonum,domperidona,domperidon,domperidonum inn-latin,domperidona inn-spanish,motillium,motinorm PubChem CID: 3151 ChEBI: CHEBI:31515 IUPAC Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one SMILES: C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O
| PubChem CID | 3151 |
|---|---|
| CAS | 57808-66-9 |
| Molecular Weight (g/mol) | 425.917 |
| ChEBI | CHEBI:31515 |
| MDL Number | MFCD00069256 |
| SMILES | C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O |
| Synonym | domperidone,motilium,nauzelin,domperidonum,domperidona,domperidon,domperidonum inn-latin,domperidona inn-spanish,motillium,motinorm |
| IUPAC Name | 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one |
| InChI Key | FGXWKSZFVQUSTL-UHFFFAOYSA-N |
| Molecular Formula | C22H24ClN5O2 |
Thermo Scientific Chemicals Cefditoren pivoxyl
CAS: 117467-28-4 Molecular Formula: C25H28N6O7S3 Molecular Weight (g/mol): 620.71 MDL Number: MFCD00933166 InChI Key: AFZFFLVORLEPPO-UHFFFAOYNA-N IUPAC Name: {7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy}methyl 2,2-dimethylpropanoate SMILES: CON=C(C(=O)NC1C2SCC(C=CC3=C(C)N=CS3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C1=CSC(N)=N1
| CAS | 117467-28-4 |
|---|---|
| Molecular Weight (g/mol) | 620.71 |
| MDL Number | MFCD00933166 |
| SMILES | CON=C(C(=O)NC1C2SCC(C=CC3=C(C)N=CS3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C1=CSC(N)=N1 |
| IUPAC Name | {7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy}methyl 2,2-dimethylpropanoate |
| InChI Key | AFZFFLVORLEPPO-UHFFFAOYNA-N |
| Molecular Formula | C25H28N6O7S3 |
4-n-Butylbenzamide, 97%
CAS: 107377-07-1 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.247 MDL Number: MFCD00221466 InChI Key: KFINRIKJBULSTD-UHFFFAOYSA-N Synonym: 4-n-butylbenzamide,benzamide, 4-butyl,p-butylbenzamid,acmc-20e7n2 PubChem CID: 2801458 IUPAC Name: 4-butylbenzamide SMILES: CCCCC1=CC=C(C=C1)C(=O)N
| PubChem CID | 2801458 |
|---|---|
| CAS | 107377-07-1 |
| Molecular Weight (g/mol) | 177.247 |
| MDL Number | MFCD00221466 |
| SMILES | CCCCC1=CC=C(C=C1)C(=O)N |
| Synonym | 4-n-butylbenzamide,benzamide, 4-butyl,p-butylbenzamid,acmc-20e7n2 |
| IUPAC Name | 4-butylbenzamide |
| InChI Key | KFINRIKJBULSTD-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO |
MES, Monohydrate, Free Acidline, Crystal, Ultrapure Bioreagent, J.T. Baker™
CAS: 145224-94-8 Molecular Formula: C6H15NO5S Molecular Weight (g/mol): 213.248 InChI Key: MIIIXQJBDGSIKL-UHFFFAOYSA-N Synonym: mes monohydrate,2-morpholinoethanesulfonic acid hydrate,mes hydrate,mes buffer hydrate,4-morpholineethanesulfonic acid monohydrate,4-morpholineethanesulfonic acid, monohydrate,2-4-morpholinyl ethanesulfonic acid hydrate,mes hydrate buffer,4-morpholineethanesulfonicacid, hydrate 1:1,mesmonohydrate PubChem CID: 16218417 IUPAC Name: 2-morpholin-4-ylethanesulfonic acid;hydrate SMILES: C1COCCN1CCS(=O)(=O)O.O
| PubChem CID | 16218417 |
|---|---|
| CAS | 145224-94-8 |
| Molecular Weight (g/mol) | 213.248 |
| SMILES | C1COCCN1CCS(=O)(=O)O.O |
| Synonym | mes monohydrate,2-morpholinoethanesulfonic acid hydrate,mes hydrate,mes buffer hydrate,4-morpholineethanesulfonic acid monohydrate,4-morpholineethanesulfonic acid, monohydrate,2-4-morpholinyl ethanesulfonic acid hydrate,mes hydrate buffer,4-morpholineethanesulfonicacid, hydrate 1:1,mesmonohydrate |
| IUPAC Name | 2-morpholin-4-ylethanesulfonic acid;hydrate |
| InChI Key | MIIIXQJBDGSIKL-UHFFFAOYSA-N |
| Molecular Formula | C6H15NO5S |
Ethyl 2-pentynoate, 97+%
CAS: 55314-57-3 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00015221 InChI Key: XDPRPKSTFBPPHU-UHFFFAOYSA-N PubChem CID: 99169 IUPAC Name: ethyl pent-2-ynoate SMILES: CCC#CC(=O)OCC
| PubChem CID | 99169 |
|---|---|
| CAS | 55314-57-3 |
| Molecular Weight (g/mol) | 126.155 |
| MDL Number | MFCD00015221 |
| SMILES | CCC#CC(=O)OCC |
| IUPAC Name | ethyl pent-2-ynoate |
| InChI Key | XDPRPKSTFBPPHU-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
Propyl propionate, 98+%
CAS: 106-36-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009373 InChI Key: MCSINKKTEDDPNK-UHFFFAOYSA-N Synonym: propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester PubChem CID: 7803 IUPAC Name: propyl propanoate SMILES: CCCOC(=O)CC
| PubChem CID | 7803 |
|---|---|
| CAS | 106-36-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00009373 |
| SMILES | CCCOC(=O)CC |
| Synonym | propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester |
| IUPAC Name | propyl propanoate |
| InChI Key | MCSINKKTEDDPNK-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |