Organic acids and derivatives
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Methyl (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylate 98.0+%, TCI America™
CAS: 52373-72-5 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00066527 InChI Key: DOWWCCDWPKGNGX-RXMQYKEDSA-N Synonym: (+)-2,3-O-Isopropylidene-D-glyceric Acid Methyl Ester, (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic Acid Methyl Ester, (+)-Methyl 2,3-O-Isopropylidene-D-glycerate PubChem CID: 853166 IUPAC Name: methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate SMILES: CC1(OCC(O1)C(=O)OC)C
| PubChem CID | 853166 |
|---|---|
| CAS | 52373-72-5 |
| Molecular Weight (g/mol) | 160.169 |
| MDL Number | MFCD00066527 |
| SMILES | CC1(OCC(O1)C(=O)OC)C |
| Synonym | (+)-2,3-O-Isopropylidene-D-glyceric Acid Methyl Ester, (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic Acid Methyl Ester, (+)-Methyl 2,3-O-Isopropylidene-D-glycerate |
| IUPAC Name | methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate |
| InChI Key | DOWWCCDWPKGNGX-RXMQYKEDSA-N |
| Molecular Formula | C7H12O4 |
N-Benzylacetamide 98.0+%, TCI America™
CAS: 588-46-5 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD00059204 InChI Key: UZJLYRRDVFWSGA-UHFFFAOYSA-N Synonym: N-Acetylbenzylamine PubChem CID: 11500 IUPAC Name: N-benzylacetamide SMILES: CC(=O)NCC1=CC=CC=C1
| PubChem CID | 11500 |
|---|---|
| CAS | 588-46-5 |
| Molecular Weight (g/mol) | 149.193 |
| MDL Number | MFCD00059204 |
| SMILES | CC(=O)NCC1=CC=CC=C1 |
| Synonym | N-Acetylbenzylamine |
| IUPAC Name | N-benzylacetamide |
| InChI Key | UZJLYRRDVFWSGA-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
Phenethyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 4455-09-8 Molecular Formula: C15H16O3S Molecular Weight (g/mol): 276.35 MDL Number: MFCD00059322 InChI Key: CVPPUZPZPFOFPK-UHFFFAOYSA-N Synonym: 2-Phenylethyl p-Toluenesulfonate, p-Toluenesulfonic Acid Phenethyl Ester, p-Toluenesulfonic Acid 2-Phenylethyl Ester PubChem CID: 20522 IUPAC Name: 2-phenylethyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2
| PubChem CID | 20522 |
|---|---|
| CAS | 4455-09-8 |
| Molecular Weight (g/mol) | 276.35 |
| MDL Number | MFCD00059322 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2 |
| Synonym | 2-Phenylethyl p-Toluenesulfonate, p-Toluenesulfonic Acid Phenethyl Ester, p-Toluenesulfonic Acid 2-Phenylethyl Ester |
| IUPAC Name | 2-phenylethyl 4-methylbenzenesulfonate |
| InChI Key | CVPPUZPZPFOFPK-UHFFFAOYSA-N |
| Molecular Formula | C15H16O3S |
Ethyl 2-Butynoate 98.0+%, TCI America™
CAS: 4341-76-8 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD00015182 InChI Key: FCJJZKCJURDYNF-UHFFFAOYSA-N Synonym: ethyl 2-butynoate,ethyl tetrolate,2-butynoic acid ethyl ester,but-2-ynoic acid ethyl ester,2-butynoic acid, ethyl ester,tetrolic acid ethyl ester,ethyl-2-butynoate,ethyl 3-methylpropiolate,acmc-1aeo2,ethyl 1-propynecarboxylate PubChem CID: 78043 IUPAC Name: ethyl but-2-ynoate SMILES: CCOC(=O)C#CC
| PubChem CID | 78043 |
|---|---|
| CAS | 4341-76-8 |
| Molecular Weight (g/mol) | 112.128 |
| MDL Number | MFCD00015182 |
| SMILES | CCOC(=O)C#CC |
| Synonym | ethyl 2-butynoate,ethyl tetrolate,2-butynoic acid ethyl ester,but-2-ynoic acid ethyl ester,2-butynoic acid, ethyl ester,tetrolic acid ethyl ester,ethyl-2-butynoate,ethyl 3-methylpropiolate,acmc-1aeo2,ethyl 1-propynecarboxylate |
| IUPAC Name | ethyl but-2-ynoate |
| InChI Key | FCJJZKCJURDYNF-UHFFFAOYSA-N |
| Molecular Formula | C6H8O2 |
Diethylenetriaminepentaacetic Acid Calcium Trisodium Salt Hydrate 98.0+%, TCI America™
CAS: 207226-35-5 Molecular Formula: C14H20CaN3Na3O11 Molecular Weight (g/mol): 515.37 MDL Number: MFCD00150947 InChI Key: AWBWYUNJDQLQGT-UHFFFAOYSA-I Synonym: Calcium Trisodium Diethylenetriaminepentaacetate PubChem CID: 17749130 IUPAC Name: calcium trisodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate hydrate SMILES: O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
| PubChem CID | 17749130 |
|---|---|
| CAS | 207226-35-5 |
| Molecular Weight (g/mol) | 515.37 |
| MDL Number | MFCD00150947 |
| SMILES | O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O |
| Synonym | Calcium Trisodium Diethylenetriaminepentaacetate |
| IUPAC Name | calcium trisodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate hydrate |
| InChI Key | AWBWYUNJDQLQGT-UHFFFAOYSA-I |
| Molecular Formula | C14H20CaN3Na3O11 |
trans-2-Phenyl-1-cyclopropanecarboxylic Acid 98.0+%, TCI America™
CAS: 939-90-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00001292 InChI Key: AHDDRJBFJBDEPW-DTWKUNHWSA-N Synonym: trans-2-phenylcyclopropanecarboxylic acid,trans-2-phenyl-1-cyclopropanecarboxylic acid,1r,2r-2-phenylcyclopropanecarboxylic acid,trans-2-phenylcyclopropane-1-carboxylic acid,2-phcpcooh,1r,2r-2-phenylcyclopropane-1-carboxylic acid,cyclopropanecarboxylic acid, 2-phenyl-, 1r,2r-rel,rac trans-2-phenylcyclopropanecarboxylic-d5 acid,pubchem22341,trans-2-phenylcyclopropancarboxylic acid PubChem CID: 237413 ChEBI: CHEBI:79920 IUPAC Name: (1R,2R)-2-phenylcyclopropane-1-carboxylic acid SMILES: C1C(C1C(=O)O)C2=CC=CC=C2
| PubChem CID | 237413 |
|---|---|
| CAS | 939-90-2 |
| Molecular Weight (g/mol) | 162.188 |
| ChEBI | CHEBI:79920 |
| MDL Number | MFCD00001292 |
| SMILES | C1C(C1C(=O)O)C2=CC=CC=C2 |
| Synonym | trans-2-phenylcyclopropanecarboxylic acid,trans-2-phenyl-1-cyclopropanecarboxylic acid,1r,2r-2-phenylcyclopropanecarboxylic acid,trans-2-phenylcyclopropane-1-carboxylic acid,2-phcpcooh,1r,2r-2-phenylcyclopropane-1-carboxylic acid,cyclopropanecarboxylic acid, 2-phenyl-, 1r,2r-rel,rac trans-2-phenylcyclopropanecarboxylic-d5 acid,pubchem22341,trans-2-phenylcyclopropancarboxylic acid |
| IUPAC Name | (1R,2R)-2-phenylcyclopropane-1-carboxylic acid |
| InChI Key | AHDDRJBFJBDEPW-DTWKUNHWSA-N |
| Molecular Formula | C10H10O2 |
Ethyl (S)-4-Chloro-3-hydroxybutyrate 95.0+%, TCI America™
CAS: 86728-85-0 Molecular Formula: C6H11ClO3 Molecular Weight (g/mol): 166.60 MDL Number: MFCD00211241 InChI Key: ZAJNMXDBJKCCAT-YFKPBYRVSA-N Synonym: ethyl s-4-chloro-3-hydroxybutyrate,ethyl s---4-chloro-3-hydroxybutyrate,ethyl s---4-chloro-3-hydroxybutanoate,ethyl 3s-4-chloro-3-hydroxybutanoate,ethyl s-4-chloro-3-hydroxybutanoate,s-4-chloro-3-hydroxybutyrate,s-4-chloro-3-hydroxybutyric acid ethyl ester,s-4-chloro-3-hydroxy-n-butyric acid ethyl ester,s-ethyl 4-chloro-3-hydroxybutanoate PubChem CID: 7019277 IUPAC Name: ethyl (3S)-4-chloro-3-hydroxybutanoate SMILES: CCOC(=O)C[C@H](O)CCl
| PubChem CID | 7019277 |
|---|---|
| CAS | 86728-85-0 |
| Molecular Weight (g/mol) | 166.60 |
| MDL Number | MFCD00211241 |
| SMILES | CCOC(=O)C[C@H](O)CCl |
| Synonym | ethyl s-4-chloro-3-hydroxybutyrate,ethyl s---4-chloro-3-hydroxybutyrate,ethyl s---4-chloro-3-hydroxybutanoate,ethyl 3s-4-chloro-3-hydroxybutanoate,ethyl s-4-chloro-3-hydroxybutanoate,s-4-chloro-3-hydroxybutyrate,s-4-chloro-3-hydroxybutyric acid ethyl ester,s-4-chloro-3-hydroxy-n-butyric acid ethyl ester,s-ethyl 4-chloro-3-hydroxybutanoate |
| IUPAC Name | ethyl (3S)-4-chloro-3-hydroxybutanoate |
| InChI Key | ZAJNMXDBJKCCAT-YFKPBYRVSA-N |
| Molecular Formula | C6H11ClO3 |
2-Methylbutyl DL-2-Methylbutyrate 97.0+%, TCI America™
CAS: 2445-78-5 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 MDL Number: MFCD00059395 InChI Key: PVYFCGRBIREQLL-UHFFFAOYSA-N Synonym: DL-2-Methylbutyric Acid 2-Methylbutyl Ester PubChem CID: 17129 IUPAC Name: 2-methylbutyl 2-methylbutanoate SMILES: CCC(C)COC(=O)C(C)CC
| PubChem CID | 17129 |
|---|---|
| CAS | 2445-78-5 |
| Molecular Weight (g/mol) | 172.268 |
| MDL Number | MFCD00059395 |
| SMILES | CCC(C)COC(=O)C(C)CC |
| Synonym | DL-2-Methylbutyric Acid 2-Methylbutyl Ester |
| IUPAC Name | 2-methylbutyl 2-methylbutanoate |
| InChI Key | PVYFCGRBIREQLL-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
6-Bromo-4-hydroxyquinazoline 98.0+%, TCI America™
CAS: 32084-59-6 Molecular Formula: C8H5BrN2O Molecular Weight (g/mol): 225.045 MDL Number: MFCD00115131 InChI Key: OVEISJPVPHWEHR-UHFFFAOYSA-N Synonym: 6-Bromo-4-quinazolinone, 6-Bromo-4-quinazolinol PubChem CID: 699754 IUPAC Name: 6-bromo-1H-quinazolin-4-one SMILES: C1=CC2=C(C=C1Br)C(=O)N=CN2
| PubChem CID | 699754 |
|---|---|
| CAS | 32084-59-6 |
| Molecular Weight (g/mol) | 225.045 |
| MDL Number | MFCD00115131 |
| SMILES | C1=CC2=C(C=C1Br)C(=O)N=CN2 |
| Synonym | 6-Bromo-4-quinazolinone, 6-Bromo-4-quinazolinol |
| IUPAC Name | 6-bromo-1H-quinazolin-4-one |
| InChI Key | OVEISJPVPHWEHR-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrN2O |
1H,1H,2H,2H-Nonafluorohexyl Acrylate (stabilized with TBC) 98.0+%, TCI America™
CAS: 52591-27-2 Molecular Formula: C9H7F9O2 Molecular Weight (g/mol): 318.14 MDL Number: MFCD00236104 InChI Key: GYUPEJSTJSFVRR-UHFFFAOYSA-N Synonym: Acrylic Acid 1H,1H,2H,2H-Nonafluorohexyl Ester, 3,3,4,4,5,5,6,6,6-Nonafluorohexyl Acrylate, Acrylic Acid 3,3,4,4,5,5,6,6,6-Nonafluorohexyl Ester PubChem CID: 104247 IUPAC Name: 3,3,4,4,5,5,6,6,6-nonafluorohexyl prop-2-enoate SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C
| PubChem CID | 104247 |
|---|---|
| CAS | 52591-27-2 |
| Molecular Weight (g/mol) | 318.14 |
| MDL Number | MFCD00236104 |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C |
| Synonym | Acrylic Acid 1H,1H,2H,2H-Nonafluorohexyl Ester, 3,3,4,4,5,5,6,6,6-Nonafluorohexyl Acrylate, Acrylic Acid 3,3,4,4,5,5,6,6,6-Nonafluorohexyl Ester |
| IUPAC Name | 3,3,4,4,5,5,6,6,6-nonafluorohexyl prop-2-enoate |
| InChI Key | GYUPEJSTJSFVRR-UHFFFAOYSA-N |
| Molecular Formula | C9H7F9O2 |
Ethyl (R)-(-)-4-Cyano-3-hydroxybutyrate 97.0+%, TCI America™
CAS: 141942-85-0 Molecular Formula: C7H11NO3 Molecular Weight (g/mol): 157.17 MDL Number: MFCD00270839 InChI Key: LOQFROBMBSKWQY-ZCFIWIBFSA-N Synonym: ethyl r---4-cyano-3-hydroxybutyate,ethyl r---4-cyano-3-hydroxybutyrate,ethyl 3r-4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxybutyric acid ethyl ester,r-ethyl 4-cyano-3-hydroxybutyrate,ethyl-r-+-4-cyano-3-hydroxybutanoate,ethyl r-4-cyano-3-hydroxybutyrate,r-ethyl 4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxy-butyric acid ethyl ester,r---4-cyano-3-hydroxybutyric acid ethyl ester PubChem CID: 2733879 IUPAC Name: ethyl (3R)-4-cyano-3-hydroxybutanoate SMILES: CCOC(=O)C[C@H](O)CC#N
| PubChem CID | 2733879 |
|---|---|
| CAS | 141942-85-0 |
| Molecular Weight (g/mol) | 157.17 |
| MDL Number | MFCD00270839 |
| SMILES | CCOC(=O)C[C@H](O)CC#N |
| Synonym | ethyl r---4-cyano-3-hydroxybutyate,ethyl r---4-cyano-3-hydroxybutyrate,ethyl 3r-4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxybutyric acid ethyl ester,r-ethyl 4-cyano-3-hydroxybutyrate,ethyl-r-+-4-cyano-3-hydroxybutanoate,ethyl r-4-cyano-3-hydroxybutyrate,r-ethyl 4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxy-butyric acid ethyl ester,r---4-cyano-3-hydroxybutyric acid ethyl ester |
| IUPAC Name | ethyl (3R)-4-cyano-3-hydroxybutanoate |
| InChI Key | LOQFROBMBSKWQY-ZCFIWIBFSA-N |
| Molecular Formula | C7H11NO3 |
Butylboronic Acid (contains varying amounts of Anhydride) [for Esterification], TCI America™
CAS: 4426-47-5 Molecular Formula: C4H11BO2 Molecular Weight (g/mol): 101.94 MDL Number: MFCD00002106 InChI Key: QPKFVRWIISEVCW-UHFFFAOYSA-N Synonym: n-butylboronic acid,1-butylboronic acid,1-butaneboronic acid,n-butaneboronic acid,boronic acid, butyl PubChem CID: 20479 IUPAC Name: butylboronic acid SMILES: B(CCCC)(O)O
| PubChem CID | 20479 |
|---|---|
| CAS | 4426-47-5 |
| Molecular Weight (g/mol) | 101.94 |
| MDL Number | MFCD00002106 |
| SMILES | B(CCCC)(O)O |
| Synonym | n-butylboronic acid,1-butylboronic acid,1-butaneboronic acid,n-butaneboronic acid,boronic acid, butyl |
| IUPAC Name | butylboronic acid |
| InChI Key | QPKFVRWIISEVCW-UHFFFAOYSA-N |
| Molecular Formula | C4H11BO2 |
Disodium Dihydrogen Ethylenediaminetetraacetate Dihydrate 99.0+%, TCI America™
CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L Synonym: edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs PubChem CID: 44120005 IUPAC Name: disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| PubChem CID | 44120005 |
|---|---|
| CAS | 6381-92-6 |
| Molecular Weight (g/mol) | 372.24 |
| MDL Number | MFCD00150037,MFCD00003541 |
| SMILES | O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
| Synonym | edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs |
| IUPAC Name | disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate |
| InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
| Molecular Formula | C10H18N2Na2O10 |
3-Nitrobenzenesulfonic Acid Hydrate 98.0+%, TCI America™
CAS: 98-47-5 Molecular Formula: C6H5NO5S Molecular Weight (g/mol): 203.168 MDL Number: MFCD00064383 InChI Key: ONMOULMPIIOVTQ-UHFFFAOYSA-N Synonym: 3-nitrobenzenesulfonic acid,m-nitrobenzenesulfonic acid,benzenesulfonic acid, 3-nitro,3-nitrobenzenesulphonic acid,m-nitrobenzensulfonic acid,3-nitrophenylsulfonic acid,kyselina 3-nitrobenzensulfonova,benzenesulfonic acid, m-nitro,ccris 3131,kyselina nitrobenzen-m-sulfonova PubChem CID: 7387 SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-]
| PubChem CID | 7387 |
|---|---|
| CAS | 98-47-5 |
| Molecular Weight (g/mol) | 203.168 |
| MDL Number | MFCD00064383 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-] |
| Synonym | 3-nitrobenzenesulfonic acid,m-nitrobenzenesulfonic acid,benzenesulfonic acid, 3-nitro,3-nitrobenzenesulphonic acid,m-nitrobenzensulfonic acid,3-nitrophenylsulfonic acid,kyselina 3-nitrobenzensulfonova,benzenesulfonic acid, m-nitro,ccris 3131,kyselina nitrobenzen-m-sulfonova |
| InChI Key | ONMOULMPIIOVTQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO5S |
3-(Trimethylsilyl)-2-naphthyl Trifluoromethanesulfonate 95.0+%, TCI America™
CAS: 780820-43-1 Molecular Formula: C14H15F3O3SSi Molecular Weight (g/mol): 348.411 InChI Key: OSZYFPWWHQEAGW-UHFFFAOYSA-N Synonym: 3-(Trimethylsilyl)-2-naphthyl Triflate, Trifluoromethanesulfonic Acid 3-(Trimethylsilyl)-2-naphthyl Ester PubChem CID: 44629848 IUPAC Name: (3-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate SMILES: C[Si](C)(C)C1=CC2=CC=CC=C2C=C1OS(=O)(=O)C(F)(F)F
| PubChem CID | 44629848 |
|---|---|
| CAS | 780820-43-1 |
| Molecular Weight (g/mol) | 348.411 |
| SMILES | C[Si](C)(C)C1=CC2=CC=CC=C2C=C1OS(=O)(=O)C(F)(F)F |
| Synonym | 3-(Trimethylsilyl)-2-naphthyl Triflate, Trifluoromethanesulfonic Acid 3-(Trimethylsilyl)-2-naphthyl Ester |
| IUPAC Name | (3-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate |
| InChI Key | OSZYFPWWHQEAGW-UHFFFAOYSA-N |
| Molecular Formula | C14H15F3O3SSi |