Organic acids and derivatives
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N-Carbobenzoxy-L-threonine 98.0+%, TCI America™
CAS: 19728-63-3 Molecular Formula: C12H15NO5 Molecular Weight (g/mol): 253.25 MDL Number: MFCD00065948 InChI Key: IPJUIRDNBFZGQN-SCZZXKLOSA-N Synonym: z-thr-oh,n-cbz-l-threonine,z-l-threonine,z-l-thr-oh,n-benzyloxycarbonyl-l-threonine,cbz-l-threonine,n-carbobenzyloxy-l-threonine,l-threonine, n-phenylmethoxy carbonyl,benzyloxycarbonyl-l-threonine,n-benzyloxy carbonyl-l-threonine PubChem CID: 88217 IUPAC Name: (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid SMILES: C[C@@H](O)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O
| PubChem CID | 88217 |
|---|---|
| CAS | 19728-63-3 |
| Molecular Weight (g/mol) | 253.25 |
| MDL Number | MFCD00065948 |
| SMILES | C[C@@H](O)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O |
| Synonym | z-thr-oh,n-cbz-l-threonine,z-l-threonine,z-l-thr-oh,n-benzyloxycarbonyl-l-threonine,cbz-l-threonine,n-carbobenzyloxy-l-threonine,l-threonine, n-phenylmethoxy carbonyl,benzyloxycarbonyl-l-threonine,n-benzyloxy carbonyl-l-threonine |
| IUPAC Name | (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid |
| InChI Key | IPJUIRDNBFZGQN-SCZZXKLOSA-N |
| Molecular Formula | C12H15NO5 |
N-(5-Bromopentyl)phthalimide 98.0+%, TCI America™
CAS: 954-81-4 Molecular Formula: C13H14BrNO2 Molecular Weight (g/mol): 296.164 MDL Number: MFCD00060522 InChI Key: QKVHAKICMNABGB-UHFFFAOYSA-N Synonym: n-5-bromopentyl phthalimide,2-5-bromopentyl isoindole-1,3-dione,n-5-bromopentyl-phthalimide,2-5-bromopentyl isoindoline-1,3-dione,2-5-bromo-pentyl-isoindole-1,3-dione,2-5-bromopentyl-1h-isoindole-1,3 2h-dione,2-5-bromopentyl-2,3-dihydro-1h-isoindole-1,3-dione,5-phthalimidopentyl bromide,1-bromo-5-phthalimidopentane PubChem CID: 136770 IUPAC Name: 2-(5-bromopentyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCBr
| PubChem CID | 136770 |
|---|---|
| CAS | 954-81-4 |
| Molecular Weight (g/mol) | 296.164 |
| MDL Number | MFCD00060522 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCBr |
| Synonym | n-5-bromopentyl phthalimide,2-5-bromopentyl isoindole-1,3-dione,n-5-bromopentyl-phthalimide,2-5-bromopentyl isoindoline-1,3-dione,2-5-bromo-pentyl-isoindole-1,3-dione,2-5-bromopentyl-1h-isoindole-1,3 2h-dione,2-5-bromopentyl-2,3-dihydro-1h-isoindole-1,3-dione,5-phthalimidopentyl bromide,1-bromo-5-phthalimidopentane |
| IUPAC Name | 2-(5-bromopentyl)isoindole-1,3-dione |
| InChI Key | QKVHAKICMNABGB-UHFFFAOYSA-N |
| Molecular Formula | C13H14BrNO2 |
Methyl Azetidine-3-carboxylate Hydrochloride 98.0+%, TCI America™
CAS: 100202-39-9 Molecular Formula: C5H10ClNO2 Molecular Weight (g/mol): 151.59 MDL Number: MFCD01861758 InChI Key: UOCWTLBPYROHEF-UHFFFAOYSA-N Synonym: methyl azetidine-3-carboxylate hydrochloride,azetidine-3-methyl carboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hydrochloride,3-azetidinecarboxylic acid, methyl ester, hydrochloride,methyl azetidine-3-carboxylate hcl,methylazetidine-3-carboxylate hydrochloride,methyl 3-azetidinecarboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hcl,pubchem23516,acmc-209tka PubChem CID: 21100040 IUPAC Name: methyl azetidine-3-carboxylate hydrochloride SMILES: Cl.COC(=O)C1CNC1
| PubChem CID | 21100040 |
|---|---|
| CAS | 100202-39-9 |
| Molecular Weight (g/mol) | 151.59 |
| MDL Number | MFCD01861758 |
| SMILES | Cl.COC(=O)C1CNC1 |
| Synonym | methyl azetidine-3-carboxylate hydrochloride,azetidine-3-methyl carboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hydrochloride,3-azetidinecarboxylic acid, methyl ester, hydrochloride,methyl azetidine-3-carboxylate hcl,methylazetidine-3-carboxylate hydrochloride,methyl 3-azetidinecarboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hcl,pubchem23516,acmc-209tka |
| IUPAC Name | methyl azetidine-3-carboxylate hydrochloride |
| InChI Key | UOCWTLBPYROHEF-UHFFFAOYSA-N |
| Molecular Formula | C5H10ClNO2 |
Methyl 2,4-Dichlorophenylacetate 99.0+%, TCI America™
CAS: 55954-23-9 Molecular Formula: C9H8Cl2O2 Molecular Weight (g/mol): 219.061 MDL Number: MFCD00018381 InChI Key: SRCVNBFTEARRJY-UHFFFAOYSA-N Synonym: methyl 2,4-dichlorophenylacetate,methyl 2-2,4-dichlorophenyl acetate,2,4-dichlorophenylacetic acid methyl ester,benzeneacetic acid, 2,4-dichloro-, methyl ester,methyl2,4-dichlorophenylacetate,dcaa methyl ester,acmc-209lq7,methyl 2,4-dichlorobenzeneacetate,2,4-dichlorophenylaceticacidmethylester,2,4-dichlorobenzeneacetic acid methyl ester PubChem CID: 2734106 IUPAC Name: methyl 2-(2,4-dichlorophenyl)acetate SMILES: COC(=O)CC1=C(C=C(C=C1)Cl)Cl
| PubChem CID | 2734106 |
|---|---|
| CAS | 55954-23-9 |
| Molecular Weight (g/mol) | 219.061 |
| MDL Number | MFCD00018381 |
| SMILES | COC(=O)CC1=C(C=C(C=C1)Cl)Cl |
| Synonym | methyl 2,4-dichlorophenylacetate,methyl 2-2,4-dichlorophenyl acetate,2,4-dichlorophenylacetic acid methyl ester,benzeneacetic acid, 2,4-dichloro-, methyl ester,methyl2,4-dichlorophenylacetate,dcaa methyl ester,acmc-209lq7,methyl 2,4-dichlorobenzeneacetate,2,4-dichlorophenylaceticacidmethylester,2,4-dichlorobenzeneacetic acid methyl ester |
| IUPAC Name | methyl 2-(2,4-dichlorophenyl)acetate |
| InChI Key | SRCVNBFTEARRJY-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O2 |
4-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene 97.0+%, TCI America™
CAS: 635305-48-5 Molecular Formula: C11H17BO2S Molecular Weight (g/mol): 224.13 MDL Number: MFCD11045430 InChI Key: FNRMPXJVCSMVMA-UHFFFAOYSA-N Synonym: 4,4,5,5-Tetramethyl-2-(4-methyl-2-thienyl)-1,3,2-dioxaborolane, 4-Methyl-2-thiopheneboronic Acid Pinacol Ester PubChem CID: 10443592 IUPAC Name: 4,4,5,5-tetramethyl-2-(4-methylthiophen-2-yl)-1,3,2-dioxaborolane SMILES: CC1=CSC(=C1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 10443592 |
|---|---|
| CAS | 635305-48-5 |
| Molecular Weight (g/mol) | 224.13 |
| MDL Number | MFCD11045430 |
| SMILES | CC1=CSC(=C1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 4,4,5,5-Tetramethyl-2-(4-methyl-2-thienyl)-1,3,2-dioxaborolane, 4-Methyl-2-thiopheneboronic Acid Pinacol Ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(4-methylthiophen-2-yl)-1,3,2-dioxaborolane |
| InChI Key | FNRMPXJVCSMVMA-UHFFFAOYSA-N |
| Molecular Formula | C11H17BO2S |
S-(2-Methyl-3-furyl) Thioacetate 96.0+%, TCI America™
CAS: 55764-25-5 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD01632595 InChI Key: PQFIBPDAGFGLBY-UHFFFAOYSA-N Synonym: 2-methylfuran-3-thiol acetate,3-acetylthio-2-methylfuran,ethanethioic acid, s-2-methyl-3-furanyl ester,s-2-methyl-3-furyl thioacetate,s-2-methyl-3-furyl ethanethioate,2-methyl-3-furanthiol, acetate,unii-7277jee7af,s-2-methylfuran-3-yl ethanethioate,thioacetic acid s-2-methyl-3-furyl ester,1-2-methylfuran-3-yl sulfanyl ethanone PubChem CID: 108765 IUPAC Name: 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one SMILES: CC(=O)SC1=C(C)OC=C1
| PubChem CID | 108765 |
|---|---|
| CAS | 55764-25-5 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD01632595 |
| SMILES | CC(=O)SC1=C(C)OC=C1 |
| Synonym | 2-methylfuran-3-thiol acetate,3-acetylthio-2-methylfuran,ethanethioic acid, s-2-methyl-3-furanyl ester,s-2-methyl-3-furyl thioacetate,s-2-methyl-3-furyl ethanethioate,2-methyl-3-furanthiol, acetate,unii-7277jee7af,s-2-methylfuran-3-yl ethanethioate,thioacetic acid s-2-methyl-3-furyl ester,1-2-methylfuran-3-yl sulfanyl ethanone |
| IUPAC Name | 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one |
| InChI Key | PQFIBPDAGFGLBY-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
4-Bromo-N-methylphthalimide 98.0+%, TCI America™
CAS: 90224-73-0 Molecular Formula: C9H6BrNO2 Molecular Weight (g/mol): 240.056 InChI Key: BEIQHTQYTDPHLX-UHFFFAOYSA-N PubChem CID: 790105 IUPAC Name: 5-bromo-2-methylisoindole-1,3-dione SMILES: CN1C(=O)C2=C(C1=O)C=C(C=C2)Br
| PubChem CID | 790105 |
|---|---|
| CAS | 90224-73-0 |
| Molecular Weight (g/mol) | 240.056 |
| SMILES | CN1C(=O)C2=C(C1=O)C=C(C=C2)Br |
| IUPAC Name | 5-bromo-2-methylisoindole-1,3-dione |
| InChI Key | BEIQHTQYTDPHLX-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO2 |
Methyl 5-Methylpyrazole-3-carboxylate 98.0+%, TCI America™
CAS: 25016-17-5 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD03778987 InChI Key: GFEZEVUIYRGWNU-UHFFFAOYSA-N Synonym: methyl 3-methyl-1h-pyrazole-5-carboxylate,methyl 5-methylpyrazole-3-carboxylate,methyl 5-methyl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-methyl-, methyl ester,5-methyl-1h-pyrazole-3-carboxylic acid methyl ester,5-methyl-2h-pyrazole-3-carboxylic acid methyl ester,5-methyl-1 2 h-pyrazole-3-carboxylic acid methyl ester,methylmethylpyrazolecarboxylate,ksc554q1l,5-methoxycarbonyl-3-me-thylpyrazole PubChem CID: 2753079 IUPAC Name: methyl 5-methyl-1H-pyrazole-3-carboxylate SMILES: CC1=CC(=NN1)C(=O)OC
| PubChem CID | 2753079 |
|---|---|
| CAS | 25016-17-5 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD03778987 |
| SMILES | CC1=CC(=NN1)C(=O)OC |
| Synonym | methyl 3-methyl-1h-pyrazole-5-carboxylate,methyl 5-methylpyrazole-3-carboxylate,methyl 5-methyl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-methyl-, methyl ester,5-methyl-1h-pyrazole-3-carboxylic acid methyl ester,5-methyl-2h-pyrazole-3-carboxylic acid methyl ester,5-methyl-1 2 h-pyrazole-3-carboxylic acid methyl ester,methylmethylpyrazolecarboxylate,ksc554q1l,5-methoxycarbonyl-3-me-thylpyrazole |
| IUPAC Name | methyl 5-methyl-1H-pyrazole-3-carboxylate |
| InChI Key | GFEZEVUIYRGWNU-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
Methyl Cyclopentanecarboxylate 98.0+%, TCI America™
CAS: 4630-80-2 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00019290 InChI Key: IIHIJFJSXPDTNO-UHFFFAOYSA-N Synonym: cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl PubChem CID: 78365 IUPAC Name: methyl cyclopentanecarboxylate SMILES: COC(=O)C1CCCC1
| PubChem CID | 78365 |
|---|---|
| CAS | 4630-80-2 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00019290 |
| SMILES | COC(=O)C1CCCC1 |
| Synonym | cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl |
| IUPAC Name | methyl cyclopentanecarboxylate |
| InChI Key | IIHIJFJSXPDTNO-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Monomethyl trans-1,4-Cyclohexanedicarboxylate 97.0+%, TCI America™
CAS: 15177-67-0 Molecular Formula: C9H14O4 Molecular Weight (g/mol): 186.207 MDL Number: MFCD01311247 InChI Key: ZQJNPHCQABYENK-UHFFFAOYSA-N Synonym: trans-1,4-Cyclohexanedicarboxylic Acid Monomethyl Ester, Methyl Hydrogen trans-1,4-Cyclohexanedicarboxylate PubChem CID: 296850 IUPAC Name: 4-methoxycarbonylcyclohexane-1-carboxylic acid SMILES: COC(=O)C1CCC(CC1)C(=O)O
| PubChem CID | 296850 |
|---|---|
| CAS | 15177-67-0 |
| Molecular Weight (g/mol) | 186.207 |
| MDL Number | MFCD01311247 |
| SMILES | COC(=O)C1CCC(CC1)C(=O)O |
| Synonym | trans-1,4-Cyclohexanedicarboxylic Acid Monomethyl Ester, Methyl Hydrogen trans-1,4-Cyclohexanedicarboxylate |
| IUPAC Name | 4-methoxycarbonylcyclohexane-1-carboxylic acid |
| InChI Key | ZQJNPHCQABYENK-UHFFFAOYSA-N |
| Molecular Formula | C9H14O4 |
3-Chloro-4-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 175883-60-0 Molecular Formula: C7H8BClO3 Molecular Weight (g/mol): 186.40 MDL Number: MFCD04039888 InChI Key: VUTJHOWRPUPHIG-UHFFFAOYSA-N PubChem CID: 3247522 IUPAC Name: (3-chloro-4-methoxyphenyl)boronic acid SMILES: COC1=C(Cl)C=C(C=C1)B(O)O
| PubChem CID | 3247522 |
|---|---|
| CAS | 175883-60-0 |
| Molecular Weight (g/mol) | 186.40 |
| MDL Number | MFCD04039888 |
| SMILES | COC1=C(Cl)C=C(C=C1)B(O)O |
| IUPAC Name | (3-chloro-4-methoxyphenyl)boronic acid |
| InChI Key | VUTJHOWRPUPHIG-UHFFFAOYSA-N |
| Molecular Formula | C7H8BClO3 |
Methyl Indole-2-carboxylate 98.0+%, TCI America™
CAS: 1202-04-6 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00460779 InChI Key: NQPIEWBAWBFGOB-UHFFFAOYSA-N Synonym: methyl indole-2-carboxylate,indole-2-carboxylic acid methyl ester,methyl 2-indolecarboxylate,1h-indole-2-carboxylic acid methyl ester,1h-indole-2-carboxylic acid, methyl ester,ethyl-indole-2-caboxylate,pubchem7284,2-methoxycarbonylindole,methylindole-2-carboxylate,buttpark 99\04-61 PubChem CID: 70992 IUPAC Name: methyl 1H-indole-2-carboxylate SMILES: COC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 70992 |
|---|---|
| CAS | 1202-04-6 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00460779 |
| SMILES | COC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | methyl indole-2-carboxylate,indole-2-carboxylic acid methyl ester,methyl 2-indolecarboxylate,1h-indole-2-carboxylic acid methyl ester,1h-indole-2-carboxylic acid, methyl ester,ethyl-indole-2-caboxylate,pubchem7284,2-methoxycarbonylindole,methylindole-2-carboxylate,buttpark 99\04-61 |
| IUPAC Name | methyl 1H-indole-2-carboxylate |
| InChI Key | NQPIEWBAWBFGOB-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Methyl 3-Phenylpropionate 98.0+%, TCI America™
CAS: 103-25-3 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00017209 InChI Key: RPUSRLKKXPQSGP-UHFFFAOYSA-N Synonym: methyl 3-phenylpropionate,methyl hydrocinnamate,benzenepropanoic acid, methyl ester,3-phenylpropionic acid methyl ester,methyl benzenepropanoate,hydrocinnamic acid, methyl ester,methyl dihydrocinnamate,methyl beta-phenylpropionate,methyl b-phenylpropionate,unii-111lc1gi10 PubChem CID: 7643 IUPAC Name: methyl 3-phenylpropanoate SMILES: COC(=O)CCC1=CC=CC=C1
| PubChem CID | 7643 |
|---|---|
| CAS | 103-25-3 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00017209 |
| SMILES | COC(=O)CCC1=CC=CC=C1 |
| Synonym | methyl 3-phenylpropionate,methyl hydrocinnamate,benzenepropanoic acid, methyl ester,3-phenylpropionic acid methyl ester,methyl benzenepropanoate,hydrocinnamic acid, methyl ester,methyl dihydrocinnamate,methyl beta-phenylpropionate,methyl b-phenylpropionate,unii-111lc1gi10 |
| IUPAC Name | methyl 3-phenylpropanoate |
| InChI Key | RPUSRLKKXPQSGP-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Methyl 3-(4-Hydroxy-3-methoxyphenyl)propionate 98.0+%, TCI America™
CAS: 56024-44-3 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 InChI Key: PDTCYIZPTRRYOT-UHFFFAOYSA-N Synonym: 3-(4-Hydroxy-3-methoxyphenyl)propionic Acid Methyl Ester PubChem CID: 523498 IUPAC Name: methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate SMILES: COC1=C(C=CC(=C1)CCC(=O)OC)O
| PubChem CID | 523498 |
|---|---|
| CAS | 56024-44-3 |
| Molecular Weight (g/mol) | 210.229 |
| SMILES | COC1=C(C=CC(=C1)CCC(=O)OC)O |
| Synonym | 3-(4-Hydroxy-3-methoxyphenyl)propionic Acid Methyl Ester |
| IUPAC Name | methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate |
| InChI Key | PDTCYIZPTRRYOT-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |