Organic acids and derivatives
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1,2,4,5-Cyclohexanetetracarboxylic Acid 98.0+%, TCI America™
CAS: 15383-49-0 Molecular Formula: C10H12O8 Molecular Weight (g/mol): 260.198 MDL Number: MFCD00435556 InChI Key: ZPAKUZKMGJJMAA-UHFFFAOYSA-N PubChem CID: 2834946 IUPAC Name: cyclohexane-1,2,4,5-tetracarboxylic acid SMILES: C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 2834946 |
|---|---|
| CAS | 15383-49-0 |
| Molecular Weight (g/mol) | 260.198 |
| MDL Number | MFCD00435556 |
| SMILES | C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | cyclohexane-1,2,4,5-tetracarboxylic acid |
| InChI Key | ZPAKUZKMGJJMAA-UHFFFAOYSA-N |
| Molecular Formula | C10H12O8 |
Cyanoacetohydrazide 97.0+%, TCI America™
CAS: 140-87-4 Molecular Formula: C3H5N3O Molecular Weight (g/mol): 99.093 MDL Number: MFCD00007611 InChI Key: HPHBOJANXDKUQD-UHFFFAOYSA-N Synonym: cyanoacetohydrazide,cyacetacide,cyanoacethydrazide,cyanoacetic acid hydrazide,cyacetacid,cyacetazid,cyacetazide,mackreazid,neohydrazid,armazal PubChem CID: 8820 IUPAC Name: 2-cyanoacetohydrazide SMILES: C(C#N)C(=O)NN
| PubChem CID | 8820 |
|---|---|
| CAS | 140-87-4 |
| Molecular Weight (g/mol) | 99.093 |
| MDL Number | MFCD00007611 |
| SMILES | C(C#N)C(=O)NN |
| Synonym | cyanoacetohydrazide,cyacetacide,cyanoacethydrazide,cyanoacetic acid hydrazide,cyacetacid,cyacetazid,cyacetazide,mackreazid,neohydrazid,armazal |
| IUPAC Name | 2-cyanoacetohydrazide |
| InChI Key | HPHBOJANXDKUQD-UHFFFAOYSA-N |
| Molecular Formula | C3H5N3O |
Rhodium(II) Acetate Dimer, TCI America™
CAS: 15956-28-2 Molecular Formula: C8H12O8Rh2 Molecular Weight (g/mol): 441.99 MDL Number: MFCD00003538 InChI Key: VOXKIADTKKPBBP-UHFFFAOYSA-N Synonym: rhodium ii acetate,rhodium diacetate,acetic acid, rhodium 2+ salt,rhodium ii acetate dimer dihydrate,dirhodium tetraacetate,rhodium ii acetate dimer,rhodium acetate, brown, water soluble,diacetoxyrhodium PubChem CID: 122130469 IUPAC Name: tetramethyl-2,4,6,8,9,11,12,14-octaoxa-1,5-dirhodatetracyclo[3.3.3.3¹,⁵.0¹,⁵]tetradecane-1,1,5,5-tetrakis(ylium)-3,7,10,13-tetraide SMILES: C[C-]1O[Rh++]234O[C-](C)O[Rh++]2(O1)(O[C-](C)O3)O[C-](C)O4
| PubChem CID | 122130469 |
|---|---|
| CAS | 15956-28-2 |
| Molecular Weight (g/mol) | 441.99 |
| MDL Number | MFCD00003538 |
| SMILES | C[C-]1O[Rh++]234O[C-](C)O[Rh++]2(O1)(O[C-](C)O3)O[C-](C)O4 |
| Synonym | rhodium ii acetate,rhodium diacetate,acetic acid, rhodium 2+ salt,rhodium ii acetate dimer dihydrate,dirhodium tetraacetate,rhodium ii acetate dimer,rhodium acetate, brown, water soluble,diacetoxyrhodium |
| IUPAC Name | tetramethyl-2,4,6,8,9,11,12,14-octaoxa-1,5-dirhodatetracyclo[3.3.3.3¹,⁵.0¹,⁵]tetradecane-1,1,5,5-tetrakis(ylium)-3,7,10,13-tetraide |
| InChI Key | VOXKIADTKKPBBP-UHFFFAOYSA-N |
| Molecular Formula | C8H12O8Rh2 |
Ethyl Palmitate 97.0+%, TCI America™
CAS: 628-97-7 Molecular Formula: C18H36O2 Molecular Weight (g/mol): 284.48 MDL Number: MFCD00008996 InChI Key: XIRNKXNNONJFQO-UHFFFAOYSA-N Synonym: ethyl palmitate,hexadecanoic acid, ethyl ester,palmitic acid ethyl ester,ethyl cetylate,palmitic acid, ethyl ester,ethylpalmitate,unii-ird3m534zm,hexadecanoic acid ethyl ester,ethyl n-hexadecanoate,ird3m534zm PubChem CID: 12366 ChEBI: CHEBI:84932 IUPAC Name: ethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC
| PubChem CID | 12366 |
|---|---|
| CAS | 628-97-7 |
| Molecular Weight (g/mol) | 284.48 |
| ChEBI | CHEBI:84932 |
| MDL Number | MFCD00008996 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC |
| Synonym | ethyl palmitate,hexadecanoic acid, ethyl ester,palmitic acid ethyl ester,ethyl cetylate,palmitic acid, ethyl ester,ethylpalmitate,unii-ird3m534zm,hexadecanoic acid ethyl ester,ethyl n-hexadecanoate,ird3m534zm |
| IUPAC Name | ethyl hexadecanoate |
| InChI Key | XIRNKXNNONJFQO-UHFFFAOYSA-N |
| Molecular Formula | C18H36O2 |
Butyl Propionate 99.0+%, TCI America™
CAS: 590-01-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 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) | 130.187 |
| 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 |
Barium Diphenylamine-4-sulfonate 98.0+%, TCI America™
CAS: 6211-24-1 Molecular Formula: C24H20BaN2O6S2 Molecular Weight (g/mol): 633.88 MDL Number: MFCD00007497 InChI Key: IVCNVXFNTKXMCA-UHFFFAOYSA-L Synonym: barium diphenylamine-4-sulfonate,barium diphenylaminesulfonate,benzenesulfonic acid, 4-phenylamino-, barium salt 2:1,barium bis 4-anilinobenzenesulphonate,barium diphenylamine sulfonate,n-phenylsufanilic acid barium,unii-ssj5f79159,diphenylamine-4-sulfonic acid barium salt,n-phenylsufanilic acid, barium salt,4-anilinobenzenesulfonate; barium 2+ PubChem CID: 80342 IUPAC Name: barium(2+) bis(4-(phenylamino)benzene-1-sulfonate) SMILES: [Ba++].[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1.[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 80342 |
|---|---|
| CAS | 6211-24-1 |
| Molecular Weight (g/mol) | 633.88 |
| MDL Number | MFCD00007497 |
| SMILES | [Ba++].[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1.[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1 |
| Synonym | barium diphenylamine-4-sulfonate,barium diphenylaminesulfonate,benzenesulfonic acid, 4-phenylamino-, barium salt 2:1,barium bis 4-anilinobenzenesulphonate,barium diphenylamine sulfonate,n-phenylsufanilic acid barium,unii-ssj5f79159,diphenylamine-4-sulfonic acid barium salt,n-phenylsufanilic acid, barium salt,4-anilinobenzenesulfonate; barium 2+ |
| IUPAC Name | barium(2+) bis(4-(phenylamino)benzene-1-sulfonate) |
| InChI Key | IVCNVXFNTKXMCA-UHFFFAOYSA-L |
| Molecular Formula | C24H20BaN2O6S2 |
Direct Yellow 8, TCI America™
CAS: 10130-29-7 Molecular Formula: C24H19N4NaO5S2 Molecular Weight (g/mol): 530.55 MDL Number: MFCD00005779 InChI Key: OZRXNTRXLHTVPI-UHFFFAOYSA-M Synonym: Acid Yellow 186, Coomassie Yellow 6G, Direct Pure Yellow 5G PubChem CID: 23668793 IUPAC Name: sodium 6-methyl-2-(4-{2-[2-oxo-1-(phenylcarbamoyl)propylidene]hydrazin-1-yl}phenyl)-1,3-benzothiazole-7-sulfonate SMILES: [Na+].CC(=O)C(=NNC1=CC=C(C=C1)C1=NC2=CC=C(C)C(=C2S1)S([O-])(=O)=O)C(=O)NC1=CC=CC=C1
| PubChem CID | 23668793 |
|---|---|
| CAS | 10130-29-7 |
| Molecular Weight (g/mol) | 530.55 |
| MDL Number | MFCD00005779 |
| SMILES | [Na+].CC(=O)C(=NNC1=CC=C(C=C1)C1=NC2=CC=C(C)C(=C2S1)S([O-])(=O)=O)C(=O)NC1=CC=CC=C1 |
| Synonym | Acid Yellow 186, Coomassie Yellow 6G, Direct Pure Yellow 5G |
| IUPAC Name | sodium 6-methyl-2-(4-{2-[2-oxo-1-(phenylcarbamoyl)propylidene]hydrazin-1-yl}phenyl)-1,3-benzothiazole-7-sulfonate |
| InChI Key | OZRXNTRXLHTVPI-UHFFFAOYSA-M |
| Molecular Formula | C24H19N4NaO5S2 |
Ethyl 2,3-Dibromopropionate 98.0+%, TCI America™
CAS: 3674-13-3 Molecular Formula: C5H8Br2O2 Molecular Weight (g/mol): 259.925 MDL Number: MFCD00000212 InChI Key: OENICUBCLXKLJQ-UHFFFAOYSA-N Synonym: ethyl 2,3-dibromopropionate,propanoic acid, 2,3-dibromo-, ethyl ester,ethyl alpha,beta-dibromopropionate,propionic acid, 2,3-dibromo-, ethyl ester,ethyl-2,3-dibromopropionate,2,3-dibromopropionic acid ethyl ester,ethyl .alpha.,.beta.-dibromopropionate,propionic acid, 2,3-dibromo-, ethyl ester 6ci,7ci,8ci,ethyl2,3-dibromopropionate,acmc-1ahn6 PubChem CID: 97945 IUPAC Name: ethyl 2,3-dibromopropanoate SMILES: CCOC(=O)C(CBr)Br
| PubChem CID | 97945 |
|---|---|
| CAS | 3674-13-3 |
| Molecular Weight (g/mol) | 259.925 |
| MDL Number | MFCD00000212 |
| SMILES | CCOC(=O)C(CBr)Br |
| Synonym | ethyl 2,3-dibromopropionate,propanoic acid, 2,3-dibromo-, ethyl ester,ethyl alpha,beta-dibromopropionate,propionic acid, 2,3-dibromo-, ethyl ester,ethyl-2,3-dibromopropionate,2,3-dibromopropionic acid ethyl ester,ethyl .alpha.,.beta.-dibromopropionate,propionic acid, 2,3-dibromo-, ethyl ester 6ci,7ci,8ci,ethyl2,3-dibromopropionate,acmc-1ahn6 |
| IUPAC Name | ethyl 2,3-dibromopropanoate |
| InChI Key | OENICUBCLXKLJQ-UHFFFAOYSA-N |
| Molecular Formula | C5H8Br2O2 |
N,N-Diphenyl-4-methoxybenzamide 97.0+%, TCI America™
CAS: 16034-40-5 Molecular Formula: C20H17NO2 Molecular Weight (g/mol): 303.36 MDL Number: MFCD00059300 InChI Key: GVALSXYCLDABKT-UHFFFAOYSA-N Synonym: N-p-Anisoyldiphenylamine PubChem CID: 584785 IUPAC Name: 4-methoxy-N,N-diphenylbenzamide SMILES: COC1=CC=C(C=C1)C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 584785 |
|---|---|
| CAS | 16034-40-5 |
| Molecular Weight (g/mol) | 303.36 |
| MDL Number | MFCD00059300 |
| SMILES | COC1=CC=C(C=C1)C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | N-p-Anisoyldiphenylamine |
| IUPAC Name | 4-methoxy-N,N-diphenylbenzamide |
| InChI Key | GVALSXYCLDABKT-UHFFFAOYSA-N |
| Molecular Formula | C20H17NO2 |
Capecitabine 98.0+%, TCI America™
CAS: 154361-50-9 Molecular Formula: C15H22FN3O6 Molecular Weight (g/mol): 359.354 MDL Number: MFCD00930626 InChI Key: GAGWJHPBXLXJQN-UORFTKCHSA-N Synonym: capecitabine,xeloda,capiibine,capecitibine,caxeta,xabine,capecitabine usan,capecitabina,capecitabinum,capecitabin PubChem CID: 60953 ChEBI: CHEBI:31348 IUPAC Name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate SMILES: CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O
| PubChem CID | 60953 |
|---|---|
| CAS | 154361-50-9 |
| Molecular Weight (g/mol) | 359.354 |
| ChEBI | CHEBI:31348 |
| MDL Number | MFCD00930626 |
| SMILES | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O |
| Synonym | capecitabine,xeloda,capiibine,capecitibine,caxeta,xabine,capecitabine usan,capecitabina,capecitabinum,capecitabin |
| IUPAC Name | pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate |
| InChI Key | GAGWJHPBXLXJQN-UORFTKCHSA-N |
| Molecular Formula | C15H22FN3O6 |
Chicoric Acid 98.0+%, TCI America™
CAS: 70831-56-0 Molecular Formula: C22H18O12 Molecular Weight (g/mol): 474.374 MDL Number: MFCD22683653 InChI Key: YDDGKXBLOXEEMN-IABMMNSOSA-N Synonym: (2R,3R)-2,3-Bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]succinic Acid PubChem CID: 5281764 ChEBI: CHEBI:3594 IUPAC Name: (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid SMILES: C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O
| PubChem CID | 5281764 |
|---|---|
| CAS | 70831-56-0 |
| Molecular Weight (g/mol) | 474.374 |
| ChEBI | CHEBI:3594 |
| MDL Number | MFCD22683653 |
| SMILES | C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O |
| Synonym | (2R,3R)-2,3-Bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]succinic Acid |
| IUPAC Name | (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid |
| InChI Key | YDDGKXBLOXEEMN-IABMMNSOSA-N |
| Molecular Formula | C22H18O12 |
Diethyl Cyanophosphonate 95.0+%, TCI America™
CAS: 2942-58-7 Molecular Formula: C5H10NO3P Molecular Weight (g/mol): 163.11 MDL Number: MFCD00010256 InChI Key: ZWWWLCMDTZFSOO-UHFFFAOYSA-N Synonym: diethyl cyanophosphonate,diethyl phosphorocyanidate,diethylphosphorocyanidate,diethylcyanophosphate,diethyl cyanidophosphate,phosphorocyanidic acid, diethyl ester,diethoxy-phosphoryl cyanide,diethyl cyanophosphosphonate,cyanophosphonic acid diethyl ester,diethylcyanophosphonate PubChem CID: 76257 IUPAC Name: diethyl cyanophosphonate SMILES: CCOP(=O)(OCC)C#N
| PubChem CID | 76257 |
|---|---|
| CAS | 2942-58-7 |
| Molecular Weight (g/mol) | 163.11 |
| MDL Number | MFCD00010256 |
| SMILES | CCOP(=O)(OCC)C#N |
| Synonym | diethyl cyanophosphonate,diethyl phosphorocyanidate,diethylphosphorocyanidate,diethylcyanophosphate,diethyl cyanidophosphate,phosphorocyanidic acid, diethyl ester,diethoxy-phosphoryl cyanide,diethyl cyanophosphosphonate,cyanophosphonic acid diethyl ester,diethylcyanophosphonate |
| IUPAC Name | diethyl cyanophosphonate |
| InChI Key | ZWWWLCMDTZFSOO-UHFFFAOYSA-N |
| Molecular Formula | C5H10NO3P |
Cyclopentanecarboxylic Acid 98.0+%, TCI America™
CAS: 3400-45-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00001371 InChI Key: JBDSSBMEKXHSJF-UHFFFAOYSA-N Synonym: cyclopentane carboxylic acid,cyclopentylcarboxylic acid,cyclopentancarboxylic acid,cyclopentanoic acid,unii-z6691vh94a,cyclopentylmethanoic acid,pubchem14153,carboxycyclopentane,cyclopentyl carboxylic acid,acmc-209i4g PubChem CID: 18840 IUPAC Name: cyclopentanecarboxylic acid SMILES: C1CCC(C1)C(=O)O
| PubChem CID | 18840 |
|---|---|
| CAS | 3400-45-1 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00001371 |
| SMILES | C1CCC(C1)C(=O)O |
| Synonym | cyclopentane carboxylic acid,cyclopentylcarboxylic acid,cyclopentancarboxylic acid,cyclopentanoic acid,unii-z6691vh94a,cyclopentylmethanoic acid,pubchem14153,carboxycyclopentane,cyclopentyl carboxylic acid,acmc-209i4g |
| IUPAC Name | cyclopentanecarboxylic acid |
| InChI Key | JBDSSBMEKXHSJF-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
5-(4-Chlorobutyl)hydantoin 97.0+%, TCI America™
CAS: 40126-55-4 Molecular Formula: C7H11ClN2O2 Molecular Weight (g/mol): 190.627 MDL Number: MFCD00059722 InChI Key: ZKHLVOULDIXSCC-UHFFFAOYSA-N PubChem CID: 229807 IUPAC Name: 5-(4-chlorobutyl)imidazolidine-2,4-dione SMILES: C(CCCl)CC1C(=O)NC(=O)N1
| PubChem CID | 229807 |
|---|---|
| CAS | 40126-55-4 |
| Molecular Weight (g/mol) | 190.627 |
| MDL Number | MFCD00059722 |
| SMILES | C(CCCl)CC1C(=O)NC(=O)N1 |
| IUPAC Name | 5-(4-chlorobutyl)imidazolidine-2,4-dione |
| InChI Key | ZKHLVOULDIXSCC-UHFFFAOYSA-N |
| Molecular Formula | C7H11ClN2O2 |
Sodium 3-Chloro-2-hydroxypropanesulfonate 95.0+%, TCI America™
CAS: 126-83-0 Molecular Formula: C3H6ClNaO4S Molecular Weight (g/mol): 196.577 MDL Number: MFCD00013378 InChI Key: TZLNJNUWVOGZJU-UHFFFAOYSA-M Synonym: 3-Chloro-2-hydroxypropanesulfonic Acid Sodium Salt PubChem CID: 23662382 IUPAC Name: sodium;3-chloro-2-hydroxypropane-1-sulfonate SMILES: C(C(CCl)O)S(=O)(=O)[O-].[Na+]
| PubChem CID | 23662382 |
|---|---|
| CAS | 126-83-0 |
| Molecular Weight (g/mol) | 196.577 |
| MDL Number | MFCD00013378 |
| SMILES | C(C(CCl)O)S(=O)(=O)[O-].[Na+] |
| Synonym | 3-Chloro-2-hydroxypropanesulfonic Acid Sodium Salt |
| IUPAC Name | sodium;3-chloro-2-hydroxypropane-1-sulfonate |
| InChI Key | TZLNJNUWVOGZJU-UHFFFAOYSA-M |
| Molecular Formula | C3H6ClNaO4S |