Carboxylic acids and derivatives
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Diethyl fumarate, 98%
CAS: 623-91-6 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00064455 InChI Key: IEPRKVQEAMIZSS-AATRIKPKSA-N Synonym: diethyl fumarate,fumaric acid, diethyl ester,anti-psoriaticum,diethyl 2e-but-2-enedioate,fumaric acid diethyl ester,diethyl e-but-2-enedioate,2-butenedioic acid e-, diethyl ester,trans-2-butenedioic acid diethyl ester,2-butenedioic acid 2e-, diethyl ester,unii-5wbu5a3e8a PubChem CID: 638144 ChEBI: CHEBI:87388 IUPAC Name: diethyl (E)-but-2-enedioate SMILES: CCOC(=O)\C=C\C(=O)OCC
| PubChem CID | 638144 |
|---|---|
| CAS | 623-91-6 |
| Molecular Weight (g/mol) | 172.18 |
| ChEBI | CHEBI:87388 |
| MDL Number | MFCD00064455 |
| SMILES | CCOC(=O)\C=C\C(=O)OCC |
| Synonym | diethyl fumarate,fumaric acid, diethyl ester,anti-psoriaticum,diethyl 2e-but-2-enedioate,fumaric acid diethyl ester,diethyl e-but-2-enedioate,2-butenedioic acid e-, diethyl ester,trans-2-butenedioic acid diethyl ester,2-butenedioic acid 2e-, diethyl ester,unii-5wbu5a3e8a |
| IUPAC Name | diethyl (E)-but-2-enedioate |
| InChI Key | IEPRKVQEAMIZSS-AATRIKPKSA-N |
| Molecular Formula | C8H12O4 |
N-(n-Butyl)phthalimide, 99%
CAS: 1515-72-6 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00039695 InChI Key: DLKDEVCJRCPTLN-UHFFFAOYSA-N Synonym: n-butylphthalimide,2-butylisoindoline-1,3-dione,n-n-butyl phthalimide,1-phthalimidobutane,phthalimide, n-butyl,1h-isoindole-1,3 2h-dione, 2-butyl,unii-5th1dkt35e,2-butyl-1h-isoindole-1,3 2h-dione,5th1dkt35e,2-butylbenzo c azoline-1,3-dione PubChem CID: 73812 IUPAC Name: 2-butylisoindole-1,3-dione SMILES: CCCCN1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 73812 |
|---|---|
| CAS | 1515-72-6 |
| Molecular Weight (g/mol) | 203.241 |
| MDL Number | MFCD00039695 |
| SMILES | CCCCN1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-butylphthalimide,2-butylisoindoline-1,3-dione,n-n-butyl phthalimide,1-phthalimidobutane,phthalimide, n-butyl,1h-isoindole-1,3 2h-dione, 2-butyl,unii-5th1dkt35e,2-butyl-1h-isoindole-1,3 2h-dione,5th1dkt35e,2-butylbenzo c azoline-1,3-dione |
| IUPAC Name | 2-butylisoindole-1,3-dione |
| InChI Key | DLKDEVCJRCPTLN-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO2 |
Citric acid, trisodium salt dihydrate, 99%, pure
CAS: 1545801 Molecular Formula: C6H9Na3O9 Molecular Weight (g/mol): 294.1 MDL Number: MFCD00150031 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 |
| MDL Number | MFCD00150031 |
| 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 |
2-Cyanoacetamide, 99%
CAS: 107-91-5 Molecular Formula: C3H4N2O Molecular Weight (g/mol): 84.08 MDL Number: MFCD00008024 InChI Key: DGJMPUGMZIKDRO-UHFFFAOYSA-N Synonym: cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 PubChem CID: 7898 IUPAC Name: 2-cyanoacetamide SMILES: NC(=O)CC#N
| PubChem CID | 7898 |
|---|---|
| CAS | 107-91-5 |
| Molecular Weight (g/mol) | 84.08 |
| MDL Number | MFCD00008024 |
| SMILES | NC(=O)CC#N |
| Synonym | cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 |
| IUPAC Name | 2-cyanoacetamide |
| InChI Key | DGJMPUGMZIKDRO-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2O |
N,N-Dimethylacetamide 99.0+%, TCI America™
CAS: 127-19-5 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD00008686 InChI Key: FXHOOIRPVKKKFG-UHFFFAOYSA-N Synonym: dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine PubChem CID: 31374 ChEBI: CHEBI:84254 IUPAC Name: N,N-dimethylacetamide SMILES: CN(C)C(C)=O
| PubChem CID | 31374 |
|---|---|
| CAS | 127-19-5 |
| Molecular Weight (g/mol) | 87.12 |
| ChEBI | CHEBI:84254 |
| MDL Number | MFCD00008686 |
| SMILES | CN(C)C(C)=O |
| Synonym | dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine |
| IUPAC Name | N,N-dimethylacetamide |
| InChI Key | FXHOOIRPVKKKFG-UHFFFAOYSA-N |
| Molecular Formula | C4H9NO |
Dess-Martin Periodinane 95.0+%, TCI America™
CAS: 87413-09-0 Molecular Formula: C13H13IO8 Molecular Weight (g/mol): 424.14 MDL Number: MFCD00130127 InChI Key: NKLCNNUWBJBICK-UHFFFAOYSA-N Synonym: dess-martin periodinane,triacetoxyperiodinane,1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3 1h-one,dess-martin reagent,dess-martinperiodinane,dess-martin,dess martin periodinane,dess martin,dess-martin periodane PubChem CID: 159087 IUPAC Name: 1,1-bis(acetyloxy)-3-oxo-3H-1λ⁵,2-benziodaoxol-1-yl acetate SMILES: CC(=O)O[I]1(OC(C)=O)(OC(C)=O)OC(=O)C2=CC=CC=C12
| PubChem CID | 159087 |
|---|---|
| CAS | 87413-09-0 |
| Molecular Weight (g/mol) | 424.14 |
| MDL Number | MFCD00130127 |
| SMILES | CC(=O)O[I]1(OC(C)=O)(OC(C)=O)OC(=O)C2=CC=CC=C12 |
| Synonym | dess-martin periodinane,triacetoxyperiodinane,1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3 1h-one,dess-martin reagent,dess-martinperiodinane,dess-martin,dess martin periodinane,dess martin,dess-martin periodane |
| IUPAC Name | 1,1-bis(acetyloxy)-3-oxo-3H-1λ⁵,2-benziodaoxol-1-yl acetate |
| InChI Key | NKLCNNUWBJBICK-UHFFFAOYSA-N |
| Molecular Formula | C13H13IO8 |
Behenamide 75.0+%, TCI America™
CAS: 3061-75-4 Molecular Formula: C22H45NO Molecular Weight (g/mol): 339.608 MDL Number: MFCD00047905 InChI Key: ORAWFNKFUWGRJG-UHFFFAOYSA-N Synonym: behenamide,behenic acid amide,behenic amide,docosanamid,behenylamide,docsoamide,kemamide b,uniwax 1747,acmc-209hhe,behenic amide, tech PubChem CID: 76468 IUPAC Name: docosanamide SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)N
| PubChem CID | 76468 |
|---|---|
| CAS | 3061-75-4 |
| Molecular Weight (g/mol) | 339.608 |
| MDL Number | MFCD00047905 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)N |
| Synonym | behenamide,behenic acid amide,behenic amide,docosanamid,behenylamide,docsoamide,kemamide b,uniwax 1747,acmc-209hhe,behenic amide, tech |
| IUPAC Name | docosanamide |
| InChI Key | ORAWFNKFUWGRJG-UHFFFAOYSA-N |
| Molecular Formula | C22H45NO |
Benzyl Methacrylate (stabilized with MEHQ) 98.0+%, TCI America™
CAS: 2495-37-6 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00053684 InChI Key: AOJOEFVRHOZDFN-UHFFFAOYSA-N Synonym: benzyl methacrylate,2-propenoic acid, 2-methyl-, phenylmethyl ester,benzylmethacrylate,methacrylic acid benzyl ester,methacrylic acid, benzyl ester,unii-z3248k2ssm,phenylmethyl 2-methylprop-2-enoate,poly benzylmethacrylate,bzma,methacrylic acid benzyl PubChem CID: 17236 IUPAC Name: benzyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC1=CC=CC=C1
| PubChem CID | 17236 |
|---|---|
| CAS | 2495-37-6 |
| Molecular Weight (g/mol) | 176.215 |
| MDL Number | MFCD00053684 |
| SMILES | CC(=C)C(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl methacrylate,2-propenoic acid, 2-methyl-, phenylmethyl ester,benzylmethacrylate,methacrylic acid benzyl ester,methacrylic acid, benzyl ester,unii-z3248k2ssm,phenylmethyl 2-methylprop-2-enoate,poly benzylmethacrylate,bzma,methacrylic acid benzyl |
| IUPAC Name | benzyl 2-methylprop-2-enoate |
| InChI Key | AOJOEFVRHOZDFN-UHFFFAOYSA-N |
| Molecular Formula | C11H12O2 |
Bis(2-ethylhexyl) Fumarate 98.0+%, TCI America™
CAS: 141-02-6 Molecular Formula: C20H36O4 Molecular Weight (g/mol): 340.504 MDL Number: MFCD00065144 InChI Key: ROPXFXOUUANXRR-BUHFOSPRSA-N Synonym: Fumaric Acid Di(2-ethylhexyl) Ester, Di(2-ethylhexyl) Fumarate, Dioctyl Fumarate, Fumaric Acid Dioctyl Ester PubChem CID: 5370325 IUPAC Name: bis(2-ethylhexyl) (E)-but-2-enedioate SMILES: CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC
| PubChem CID | 5370325 |
|---|---|
| CAS | 141-02-6 |
| Molecular Weight (g/mol) | 340.504 |
| MDL Number | MFCD00065144 |
| SMILES | CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC |
| Synonym | Fumaric Acid Di(2-ethylhexyl) Ester, Di(2-ethylhexyl) Fumarate, Dioctyl Fumarate, Fumaric Acid Dioctyl Ester |
| IUPAC Name | bis(2-ethylhexyl) (E)-but-2-enedioate |
| InChI Key | ROPXFXOUUANXRR-BUHFOSPRSA-N |
| Molecular Formula | C20H36O4 |
Butyl Formate 95.0+%, TCI America™
CAS: 592-84-7 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00003296 InChI Key: NMJJFJNHVMGPGM-UHFFFAOYSA-N Synonym: n-butyl formate,formic acid, butyl ester,butyl methanoate,n-butyl methanoate,formic acid butyl ester,n-butylformate,butylester kyseliny mravenci,fema no. 2196,unii-0y9mz7vm9p,butylester kyseliny mravenci czech PubChem CID: 11614 IUPAC Name: butyl formate SMILES: CCCCOC=O
| PubChem CID | 11614 |
|---|---|
| CAS | 592-84-7 |
| Molecular Weight (g/mol) | 102.13 |
| MDL Number | MFCD00003296 |
| SMILES | CCCCOC=O |
| Synonym | n-butyl formate,formic acid, butyl ester,butyl methanoate,n-butyl methanoate,formic acid butyl ester,n-butylformate,butylester kyseliny mravenci,fema no. 2196,unii-0y9mz7vm9p,butylester kyseliny mravenci czech |
| IUPAC Name | butyl formate |
| InChI Key | NMJJFJNHVMGPGM-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Methyl Formate 98.0+%, TCI America™
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 |
Ethyl Formate 98.0+%, TCI America™
CAS: 109-94-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00003294 InChI Key: WBJINCZRORDGAQ-UHFFFAOYSA-N Synonym: areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat PubChem CID: 8025 ChEBI: CHEBI:52342 IUPAC Name: ethyl formate SMILES: CCOC=O
| PubChem CID | 8025 |
|---|---|
| CAS | 109-94-4 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:52342 |
| MDL Number | MFCD00003294 |
| SMILES | CCOC=O |
| Synonym | areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat |
| IUPAC Name | ethyl formate |
| InChI Key | WBJINCZRORDGAQ-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
1,3-Diiodo-5,5-dimethylhydantoin 97.0+%, TCI America™
CAS: 2232-12-4 Molecular Formula: C5H6I2N2O2 Molecular Weight (g/mol): 379.92 MDL Number: MFCD00020867 InChI Key: RDZHCKRAHUPIFK-UHFFFAOYSA-N Synonym: DIH PubChem CID: 200534 IUPAC Name: 1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C(=O)N(C(=O)N1I)I)C
| PubChem CID | 200534 |
|---|---|
| CAS | 2232-12-4 |
| Molecular Weight (g/mol) | 379.92 |
| MDL Number | MFCD00020867 |
| SMILES | CC1(C(=O)N(C(=O)N1I)I)C |
| Synonym | DIH |
| IUPAC Name | 1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | RDZHCKRAHUPIFK-UHFFFAOYSA-N |
| Molecular Formula | C5H6I2N2O2 |
Pyromellitic Acid 98.0+%, TCI America™
CAS: 89-05-4 Molecular Formula: C10H6O8 Molecular Weight (g/mol): 254.15 MDL Number: MFCD00002471 InChI Key: CYIDZMCFTVVTJO-UHFFFAOYSA-N Synonym: pyromellitic acid,1,2,4,5-benzenetetracarboxylic acid,usaf xr-20,1,2,4,5-tetracarboxybenzene,unii-d9uxg2u6zu,1,2,4,5-benzene-tetracarboxylic acid,d9uxg2u6zu,pubchem21809,acmc-20ap78,1,4,5-tetracarboxybenzene PubChem CID: 6961 ChEBI: CHEBI:45165 IUPAC Name: benzene-1,2,4,5-tetracarboxylic acid SMILES: C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 6961 |
|---|---|
| CAS | 89-05-4 |
| Molecular Weight (g/mol) | 254.15 |
| ChEBI | CHEBI:45165 |
| MDL Number | MFCD00002471 |
| SMILES | C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| Synonym | pyromellitic acid,1,2,4,5-benzenetetracarboxylic acid,usaf xr-20,1,2,4,5-tetracarboxybenzene,unii-d9uxg2u6zu,1,2,4,5-benzene-tetracarboxylic acid,d9uxg2u6zu,pubchem21809,acmc-20ap78,1,4,5-tetracarboxybenzene |
| IUPAC Name | benzene-1,2,4,5-tetracarboxylic acid |
| InChI Key | CYIDZMCFTVVTJO-UHFFFAOYSA-N |
| Molecular Formula | C10H6O8 |
Dehydroacetic Acid 98.0+%, TCI America™
CAS: 520-45-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00066709 InChI Key: PGRHXDWITVMQBC-UHFFFAOYSA-N Synonym: dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4 PubChem CID: 122903 IUPAC Name: 3-acetyl-6-methylpyran-2,4-dione SMILES: CC1=CC(=O)C(C(=O)O1)C(=O)C
| PubChem CID | 122903 |
|---|---|
| CAS | 520-45-6 |
| Molecular Weight (g/mol) | 168.148 |
| MDL Number | MFCD00066709 |
| SMILES | CC1=CC(=O)C(C(=O)O1)C(=O)C |
| Synonym | dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4 |
| IUPAC Name | 3-acetyl-6-methylpyran-2,4-dione |
| InChI Key | PGRHXDWITVMQBC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |