Organic acids and derivatives
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HBTU 98.0+%, TCI America™
CAS: 94790-37-1 Molecular Formula: C11H16F6N5OP Molecular Weight (g/mol): 379.247 MDL Number: MFCD00075445 InChI Key: UQYZFNUUOSSNKT-UHFFFAOYSA-N Synonym: hbtu,o-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,2-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate,hbtu-reagent,o-benzotriazol-1-yl-tetramethyluronium hexafluorophosphate,hbtu o-benzotriazole-n,n,n',n'-tetramethyl-uronium-hexafluoro-phosphate,n,n,n',n'-tetramethyl-o-1h-benzotriazol-1-yl uronium hexafluorophosphate,o-1h-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,o-benzotriazole-n,n,n',n'-tetramethyluronium hexafluorophosphate PubChem CID: 2733084 IUPAC Name: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate SMILES: CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F
| PubChem CID | 2733084 |
|---|---|
| CAS | 94790-37-1 |
| Molecular Weight (g/mol) | 379.247 |
| MDL Number | MFCD00075445 |
| SMILES | CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F |
| Synonym | hbtu,o-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,2-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate,hbtu-reagent,o-benzotriazol-1-yl-tetramethyluronium hexafluorophosphate,hbtu o-benzotriazole-n,n,n',n'-tetramethyl-uronium-hexafluoro-phosphate,n,n,n',n'-tetramethyl-o-1h-benzotriazol-1-yl uronium hexafluorophosphate,o-1h-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,o-benzotriazole-n,n,n',n'-tetramethyluronium hexafluorophosphate |
| IUPAC Name | [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate |
| InChI Key | UQYZFNUUOSSNKT-UHFFFAOYSA-N |
| Molecular Formula | C11H16F6N5OP |
Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate) 85.0+%, TCI America™
CAS: 31778-15-1 Molecular Formula: C21H42O2S Molecular Weight (g/mol): 358.63 MDL Number: MFCD00046844 InChI Key: UCUPUEARJPTGKU-UHFFFAOYSA-N Synonym: 3-Mercaptopropionic Acid Octadecyl Ester, Stearyl 3-Mercaptopropionate, 3-Mercaptopropionic Acid Stearyl Ester PubChem CID: 169361 IUPAC Name: octadecyl 3-sulfanylpropanoate SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCS
| PubChem CID | 169361 |
|---|---|
| CAS | 31778-15-1 |
| Molecular Weight (g/mol) | 358.63 |
| MDL Number | MFCD00046844 |
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCS |
| Synonym | 3-Mercaptopropionic Acid Octadecyl Ester, Stearyl 3-Mercaptopropionate, 3-Mercaptopropionic Acid Stearyl Ester |
| IUPAC Name | octadecyl 3-sulfanylpropanoate |
| InChI Key | UCUPUEARJPTGKU-UHFFFAOYSA-N |
| Molecular Formula | C21H42O2S |
Candesartan Cilexetil 98.0+%, TCI America™
CAS: 145040-37-5 Molecular Formula: C33H34N6O6 Molecular Weight (g/mol): 610.671 MDL Number: MFCD00871371 InChI Key: GHOSNRCGJFBJIB-UHFFFAOYSA-N Synonym: candesartan cilexetil,atacand,amias,parapres,kenzen,candesartan cilexetil usan,candesartan cilexitil,candesartan cilextil,chembl1014 PubChem CID: 2540 ChEBI: CHEBI:3348 IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6
| PubChem CID | 2540 |
|---|---|
| CAS | 145040-37-5 |
| Molecular Weight (g/mol) | 610.671 |
| ChEBI | CHEBI:3348 |
| MDL Number | MFCD00871371 |
| SMILES | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6 |
| Synonym | candesartan cilexetil,atacand,amias,parapres,kenzen,candesartan cilexetil usan,candesartan cilexitil,candesartan cilextil,chembl1014 |
| IUPAC Name | 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate |
| InChI Key | GHOSNRCGJFBJIB-UHFFFAOYSA-N |
| Molecular Formula | C33H34N6O6 |
3,3',3″-Nitrilotripropionic Acid 99.0+%, TCI America™
CAS: 817-11-8 Molecular Formula: C9H15NO6 Molecular Weight (g/mol): 233.22 MDL Number: MFCD00055827 InChI Key: IWTIBPIVCKUAHK-UHFFFAOYSA-N Synonym: 3,3',3-nitrilotripropionic acid,nitrilotripropionic acid,3,3',3-nitrilotripropanoic acid,beta-alanine, n,n-bis 2-carboxyethyl,3-bis 2-carboxyethyl amino propanoic acid,acmc-209pm3,3,3',3-nitrilotripropanoic acid non-preferred name,tris 3-oxo-3-hydroxypropyl amine PubChem CID: 98537 IUPAC Name: 3-[bis(2-carboxyethyl)amino]propanoic acid SMILES: C(CN(CCC(=O)O)CCC(=O)O)C(=O)O
| PubChem CID | 98537 |
|---|---|
| CAS | 817-11-8 |
| Molecular Weight (g/mol) | 233.22 |
| MDL Number | MFCD00055827 |
| SMILES | C(CN(CCC(=O)O)CCC(=O)O)C(=O)O |
| Synonym | 3,3',3-nitrilotripropionic acid,nitrilotripropionic acid,3,3',3-nitrilotripropanoic acid,beta-alanine, n,n-bis 2-carboxyethyl,3-bis 2-carboxyethyl amino propanoic acid,acmc-209pm3,3,3',3-nitrilotripropanoic acid non-preferred name,tris 3-oxo-3-hydroxypropyl amine |
| IUPAC Name | 3-[bis(2-carboxyethyl)amino]propanoic acid |
| InChI Key | IWTIBPIVCKUAHK-UHFFFAOYSA-N |
| Molecular Formula | C9H15NO6 |
n-Octyl Gallate 98.0+%, TCI America™
CAS: 1034-01-1 Molecular Formula: C15H22O5 Molecular Weight (g/mol): 282.336 MDL Number: MFCD00002197 InChI Key: NRPKURNSADTHLJ-UHFFFAOYSA-N Synonym: octyl gallate,n-octyl gallate,progallin o,stabilizer ga 8,n-octylgallate,gallic acid, octyl ester,gallic acid n-octyl ester,gallic acid octyl ester,benzoic acid, 3,4,5-trihydroxy-, octyl ester,oktylester kyseliny gallove PubChem CID: 61253 ChEBI: CHEBI:83631 IUPAC Name: octyl 3,4,5-trihydroxybenzoate SMILES: CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
| PubChem CID | 61253 |
|---|---|
| CAS | 1034-01-1 |
| Molecular Weight (g/mol) | 282.336 |
| ChEBI | CHEBI:83631 |
| MDL Number | MFCD00002197 |
| SMILES | CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Synonym | octyl gallate,n-octyl gallate,progallin o,stabilizer ga 8,n-octylgallate,gallic acid, octyl ester,gallic acid n-octyl ester,gallic acid octyl ester,benzoic acid, 3,4,5-trihydroxy-, octyl ester,oktylester kyseliny gallove |
| IUPAC Name | octyl 3,4,5-trihydroxybenzoate |
| InChI Key | NRPKURNSADTHLJ-UHFFFAOYSA-N |
| Molecular Formula | C15H22O5 |
3-Phenylpropionamide 98.0+%, TCI America™
CAS: 102-93-2 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD00025535 InChI Key: VYIBCOSBNVFEIW-UHFFFAOYSA-N PubChem CID: 7625 IUPAC Name: 3-phenylpropanamide SMILES: C1=CC=C(C=C1)CCC(=O)N
| PubChem CID | 7625 |
|---|---|
| CAS | 102-93-2 |
| Molecular Weight (g/mol) | 149.193 |
| MDL Number | MFCD00025535 |
| SMILES | C1=CC=C(C=C1)CCC(=O)N |
| IUPAC Name | 3-phenylpropanamide |
| InChI Key | VYIBCOSBNVFEIW-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
3-Hydroxypropionic Acid (contains varying amounts of 3,3'-Oxydipropionic Acid), TCI America™
CAS: 503-66-2 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.078 MDL Number: MFCD00058998 InChI Key: ALRHLSYJTWAHJZ-UHFFFAOYSA-N Synonym: Hydracrylic Acid PubChem CID: 68152 ChEBI: CHEBI:33404 IUPAC Name: 3-hydroxypropanoic acid SMILES: C(CO)C(=O)O
| PubChem CID | 68152 |
|---|---|
| CAS | 503-66-2 |
| Molecular Weight (g/mol) | 90.078 |
| ChEBI | CHEBI:33404 |
| MDL Number | MFCD00058998 |
| SMILES | C(CO)C(=O)O |
| Synonym | Hydracrylic Acid |
| IUPAC Name | 3-hydroxypropanoic acid |
| InChI Key | ALRHLSYJTWAHJZ-UHFFFAOYSA-N |
| Molecular Formula | C3H6O3 |
Potassium Trifluoroacetate 98.0+%, TCI America™
CAS: 2923-16-2 Molecular Formula: C2F3KO2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00013215 InChI Key: CUNPJFGIODEJLQ-UHFFFAOYSA-M Synonym: potassium trifluoroacetate,potassium 2,2,2-trifluoroacetate,trifluoroacetic acid potassium salt,acetic acid, trifluoro-, potassium salt,potassiumtrifluoroacetate,pubchem12605,potassium ion trifluoroacetate,ksc492g5t,trifluoroacetic acid, potassium salt,potassium 2,2,2-tris fluoranyl ethanoate PubChem CID: 23662811 IUPAC Name: potassium trifluoroacetate SMILES: [K+].[O-]C(=O)C(F)(F)F
| PubChem CID | 23662811 |
|---|---|
| CAS | 2923-16-2 |
| Molecular Weight (g/mol) | 152.11 |
| MDL Number | MFCD00013215 |
| SMILES | [K+].[O-]C(=O)C(F)(F)F |
| Synonym | potassium trifluoroacetate,potassium 2,2,2-trifluoroacetate,trifluoroacetic acid potassium salt,acetic acid, trifluoro-, potassium salt,potassiumtrifluoroacetate,pubchem12605,potassium ion trifluoroacetate,ksc492g5t,trifluoroacetic acid, potassium salt,potassium 2,2,2-tris fluoranyl ethanoate |
| IUPAC Name | potassium trifluoroacetate |
| InChI Key | CUNPJFGIODEJLQ-UHFFFAOYSA-M |
| Molecular Formula | C2F3KO2 |
N-(2-Hydroxyethyl)phthalimide 98.0+%, TCI America™
CAS: 3891-07-4 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD00005903 InChI Key: MWFLUYFYHANMCM-UHFFFAOYSA-N PubChem CID: 77499 IUPAC Name: 2-(2-hydroxyethyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCO
| PubChem CID | 77499 |
|---|---|
| CAS | 3891-07-4 |
| Molecular Weight (g/mol) | 191.19 |
| MDL Number | MFCD00005903 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCO |
| IUPAC Name | 2-(2-hydroxyethyl)isoindole-1,3-dione |
| InChI Key | MWFLUYFYHANMCM-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3 |
Isobutyl Crotonate 98.0+%, TCI America™
CAS: 589-66-2 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00036651 InChI Key: XDOWKOALJBOBBL-PLNGDYQASA-N Synonym: Crotonic Acid Isobutyl Ester, Isobutyl 2-Butenoate, 2-Butenoic Acid Isobuyl Ester PubChem CID: 6435824 IUPAC Name: 2-methylpropyl (2Z)-but-2-enoate SMILES: C\C=C/C(=O)OCC(C)C
| PubChem CID | 6435824 |
|---|---|
| CAS | 589-66-2 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00036651 |
| SMILES | C\C=C/C(=O)OCC(C)C |
| Synonym | Crotonic Acid Isobutyl Ester, Isobutyl 2-Butenoate, 2-Butenoic Acid Isobuyl Ester |
| IUPAC Name | 2-methylpropyl (2Z)-but-2-enoate |
| InChI Key | XDOWKOALJBOBBL-PLNGDYQASA-N |
| Molecular Formula | C8H14O2 |
2-(2-Pyridyl)ethanesulfonic Acid 98.0+%, TCI America™
CAS: 68922-18-9 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.21 MDL Number: MFCD00006365 InChI Key: VRBVUAYEXFCDPE-UHFFFAOYSA-N PubChem CID: 96724 IUPAC Name: 2-(pyridin-2-yl)ethane-1-sulfonic acid SMILES: OS(=O)(=O)CCC1=CC=CC=N1
| PubChem CID | 96724 |
|---|---|
| CAS | 68922-18-9 |
| Molecular Weight (g/mol) | 187.21 |
| MDL Number | MFCD00006365 |
| SMILES | OS(=O)(=O)CCC1=CC=CC=N1 |
| IUPAC Name | 2-(pyridin-2-yl)ethane-1-sulfonic acid |
| InChI Key | VRBVUAYEXFCDPE-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3S |
Methyl (E)-4-Chloro-3-methoxy-2-butenoate 95.0+%, TCI America™
CAS: 110104-60-4 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.585 MDL Number: MFCD00071562 InChI Key: JNYMRXDQVPIONI-HWKANZROSA-N Synonym: e-methyl 4-chloro-3-methoxybut-2-enoate,methyl e-4-chloro-3-methoxy-2-butenoate,e-4-chloro-3-methoxy-2-butenoic acid methyl ester,methyl 4-chloro-3-methoxy-2-e-butenoate,4-chloro-3-methoxy-2-e-butenoic acid methyl ester,4-chloro-3-methoxy-2 e-butenoic acid methyl ester,methyl 2e-4-chloro-3-methoxybut-2-enoate,hedl`lxpbdee jzzafh,methyl e-4-chloro-3-methoxy-2-butanoate PubChem CID: 6364655 IUPAC Name: methyl (E)-4-chloro-3-methoxybut-2-enoate SMILES: COC(=CC(=O)OC)CCl
| PubChem CID | 6364655 |
|---|---|
| CAS | 110104-60-4 |
| Molecular Weight (g/mol) | 164.585 |
| MDL Number | MFCD00071562 |
| SMILES | COC(=CC(=O)OC)CCl |
| Synonym | e-methyl 4-chloro-3-methoxybut-2-enoate,methyl e-4-chloro-3-methoxy-2-butenoate,e-4-chloro-3-methoxy-2-butenoic acid methyl ester,methyl 4-chloro-3-methoxy-2-e-butenoate,4-chloro-3-methoxy-2-e-butenoic acid methyl ester,4-chloro-3-methoxy-2 e-butenoic acid methyl ester,methyl 2e-4-chloro-3-methoxybut-2-enoate,hedl`lxpbdee jzzafh,methyl e-4-chloro-3-methoxy-2-butanoate |
| IUPAC Name | methyl (E)-4-chloro-3-methoxybut-2-enoate |
| InChI Key | JNYMRXDQVPIONI-HWKANZROSA-N |
| Molecular Formula | C6H9ClO3 |
Ethyl Stearate 96.0+%, TCI America™
CAS: 111-61-5 Molecular Formula: C20H40O2 Molecular Weight (g/mol): 312.538 MDL Number: MFCD00009006 InChI Key: MVLVMROFTAUDAG-UHFFFAOYSA-N Synonym: ethyl stearate,stearic acid ethyl ester,octadecanoic acid, ethyl ester,ethyl n-octadecanoate,stearic acid, ethyl ester,dicyclohexylammonium sulfate,unii-c64rtc734w,fema no. 3490,ethyl-stearate,ethyloctadecanoate PubChem CID: 8122 ChEBI: CHEBI:84936 IUPAC Name: ethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC
| PubChem CID | 8122 |
|---|---|
| CAS | 111-61-5 |
| Molecular Weight (g/mol) | 312.538 |
| ChEBI | CHEBI:84936 |
| MDL Number | MFCD00009006 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC |
| Synonym | ethyl stearate,stearic acid ethyl ester,octadecanoic acid, ethyl ester,ethyl n-octadecanoate,stearic acid, ethyl ester,dicyclohexylammonium sulfate,unii-c64rtc734w,fema no. 3490,ethyl-stearate,ethyloctadecanoate |
| IUPAC Name | ethyl octadecanoate |
| InChI Key | MVLVMROFTAUDAG-UHFFFAOYSA-N |
| Molecular Formula | C20H40O2 |
Ethyl Cinnamate 99.0+%, TCI America™
CAS: 103-36-6 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00009189 InChI Key: KBEBGUQPQBELIU-CMDGGOBGSA-N Synonym: ethyl cinnamate,ethyl 3-phenylacrylate,ethylcinnamate,cinnamic acid ethyl ester,ethylcinnamoate,cinnamic acid, ethyl ester,ethyl trans-cinnamate,e-ethyl cinnamate,ethyl 3-phenyl-2-propenoate,ethyl benzylideneacetate PubChem CID: 637758 ChEBI: CHEBI:4895 IUPAC Name: ethyl (E)-3-phenylprop-2-enoate SMILES: CCOC(=O)C=CC1=CC=CC=C1
| PubChem CID | 637758 |
|---|---|
| CAS | 103-36-6 |
| Molecular Weight (g/mol) | 176.215 |
| ChEBI | CHEBI:4895 |
| MDL Number | MFCD00009189 |
| SMILES | CCOC(=O)C=CC1=CC=CC=C1 |
| Synonym | ethyl cinnamate,ethyl 3-phenylacrylate,ethylcinnamate,cinnamic acid ethyl ester,ethylcinnamoate,cinnamic acid, ethyl ester,ethyl trans-cinnamate,e-ethyl cinnamate,ethyl 3-phenyl-2-propenoate,ethyl benzylideneacetate |
| IUPAC Name | ethyl (E)-3-phenylprop-2-enoate |
| InChI Key | KBEBGUQPQBELIU-CMDGGOBGSA-N |
| Molecular Formula | C11H12O2 |
Benzyl Formate 95.0+%, TCI America™
CAS: 104-57-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00014128 InChI Key: UYWQUFXKFGHYNT-UHFFFAOYSA-N Synonym: formic acid, phenylmethyl ester,benzyl methanoate,phenylmethyl formate,benzyl alcohol, formate,formic acid benzyl ester,benzyl formiat,formic acid, benzyl ester,benzylester kyseliny mravenci,ameisensaeurebenzylester,carbobenzoxy group PubChem CID: 7708 ChEBI: CHEBI:3057 IUPAC Name: benzyl formate SMILES: C1=CC=C(C=C1)COC=O
| PubChem CID | 7708 |
|---|---|
| CAS | 104-57-4 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:3057 |
| MDL Number | MFCD00014128 |
| SMILES | C1=CC=C(C=C1)COC=O |
| Synonym | formic acid, phenylmethyl ester,benzyl methanoate,phenylmethyl formate,benzyl alcohol, formate,formic acid benzyl ester,benzyl formiat,formic acid, benzyl ester,benzylester kyseliny mravenci,ameisensaeurebenzylester,carbobenzoxy group |
| IUPAC Name | benzyl formate |
| InChI Key | UYWQUFXKFGHYNT-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |