Organic acids and derivatives
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3-Aminophenylboronic acid monohydrate, 98%
CAS: 206658-89-1 Molecular Formula: C6H10BNO3 Molecular Weight (g/mol): 154.96 MDL Number: MFCD00149554 InChI Key: XAEOVQODHLLNKX-UHFFFAOYSA-N Synonym: 3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate,boronic acid, 3-aminophenyl-, monohydrate,3-aminobenzeneboronic acid hydrate,pubchem4016,acmc-1cfgg,3-boronoaniline monohydrate PubChem CID: 14389423 IUPAC Name: (3-aminophenyl)boronic acid;hydrate SMILES: O.NC1=CC=CC(=C1)B(O)O
| PubChem CID | 14389423 |
|---|---|
| CAS | 206658-89-1 |
| Molecular Weight (g/mol) | 154.96 |
| MDL Number | MFCD00149554 |
| SMILES | O.NC1=CC=CC(=C1)B(O)O |
| Synonym | 3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate,boronic acid, 3-aminophenyl-, monohydrate,3-aminobenzeneboronic acid hydrate,pubchem4016,acmc-1cfgg,3-boronoaniline monohydrate |
| IUPAC Name | (3-aminophenyl)boronic acid;hydrate |
| InChI Key | XAEOVQODHLLNKX-UHFFFAOYSA-N |
| Molecular Formula | C6H10BNO3 |
Benzo[b]furan-2-boronic acid, 97%
CAS: 98437-24-2 Molecular Formula: C8H7BO3 Molecular Weight (g/mol): 161.95 MDL Number: MFCD00236019 InChI Key: PKRRNTJIHGOMRC-UHFFFAOYSA-N Synonym: benzofuran-2-boronic acid,benzo b furan-2-boronic acid,benzofuran-2-ylboronic acid,2-benzofuranboronic acid,2-benzofuranylboronic acid,2,3-benzo b furan-2-boronic acid,2-boronobenzo b furan,1-benzofuran-2-yl boronic acid,1-benzofuran-2-boronic acid PubChem CID: 2776266 IUPAC Name: 1-benzofuran-2-ylboronic acid SMILES: OB(O)C1=CC2=CC=CC=C2O1
| PubChem CID | 2776266 |
|---|---|
| CAS | 98437-24-2 |
| Molecular Weight (g/mol) | 161.95 |
| MDL Number | MFCD00236019 |
| SMILES | OB(O)C1=CC2=CC=CC=C2O1 |
| Synonym | benzofuran-2-boronic acid,benzo b furan-2-boronic acid,benzofuran-2-ylboronic acid,2-benzofuranboronic acid,2-benzofuranylboronic acid,2,3-benzo b furan-2-boronic acid,2-boronobenzo b furan,1-benzofuran-2-yl boronic acid,1-benzofuran-2-boronic acid |
| IUPAC Name | 1-benzofuran-2-ylboronic acid |
| InChI Key | PKRRNTJIHGOMRC-UHFFFAOYSA-N |
| Molecular Formula | C8H7BO3 |
N-(4-Pentynyl)phthalimide, 97%
CAS: 6097-07-0 Molecular Formula: C13H11NO2 Molecular Weight (g/mol): 213.23 MDL Number: MFCD06798110 InChI Key: YNZIPXLLPFYDGM-UHFFFAOYSA-N Synonym: n-4-pentynyl phthalimide,2-pent-4-ynyl isoindoline-1,3-dione,1-phthalimido-4-pentyne,2-pent-4-yn-1-yl isoindoline-1,3-dione,n-4-pentynyl phthalimide 97,2-pent-4-yn-1-yl isoindole-1,3-dione,5-phthalimido-1-pentyne,2-pent-4-ynyl-isoindole-1,3-dione PubChem CID: 11769822 IUPAC Name: 2-pent-4-ynylisoindole-1,3-dione SMILES: C#CCCCN1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 11769822 |
|---|---|
| CAS | 6097-07-0 |
| Molecular Weight (g/mol) | 213.23 |
| MDL Number | MFCD06798110 |
| SMILES | C#CCCCN1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-4-pentynyl phthalimide,2-pent-4-ynyl isoindoline-1,3-dione,1-phthalimido-4-pentyne,2-pent-4-yn-1-yl isoindoline-1,3-dione,n-4-pentynyl phthalimide 97,2-pent-4-yn-1-yl isoindole-1,3-dione,5-phthalimido-1-pentyne,2-pent-4-ynyl-isoindole-1,3-dione |
| IUPAC Name | 2-pent-4-ynylisoindole-1,3-dione |
| InChI Key | YNZIPXLLPFYDGM-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO2 |
Indium(III) trifluoromethanesulfonate, 98%
CAS: 128008-30-0 Molecular Formula: C3F9InO9S3 Molecular Weight (g/mol): 562.03 MDL Number: MFCD00144478 InChI Key: UCYRAEIHXSVXPV-UHFFFAOYSA-K Synonym: indium iii trifluoromethanesulfonate,indium triflate,indium trifluoromethanesulphonate,indium 3+ tritriflate,indium 3+ ; trifluoromethanesulfonate,indium iii triflate,indium iii trifluoromethanesulphonate,acmc-209bda,in tfa 3,ksc491q8t PubChem CID: 2734680 IUPAC Name: indium(3+);trifluoromethanesulfonate SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[In+3]
| PubChem CID | 2734680 |
|---|---|
| CAS | 128008-30-0 |
| Molecular Weight (g/mol) | 562.03 |
| MDL Number | MFCD00144478 |
| SMILES | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[In+3] |
| Synonym | indium iii trifluoromethanesulfonate,indium triflate,indium trifluoromethanesulphonate,indium 3+ tritriflate,indium 3+ ; trifluoromethanesulfonate,indium iii triflate,indium iii trifluoromethanesulphonate,acmc-209bda,in tfa 3,ksc491q8t |
| IUPAC Name | indium(3+);trifluoromethanesulfonate |
| InChI Key | UCYRAEIHXSVXPV-UHFFFAOYSA-K |
| Molecular Formula | C3F9InO9S3 |
Pyridine-3-boronic acid, 95%
CAS: 1692-25-7 Molecular Formula: C5H6BNO2 Molecular Weight (g/mol): 122.92 MDL Number: MFCD00674177 InChI Key: ABMYEXAYWZJVOV-UHFFFAOYSA-N Synonym: pyridine-3-boronic acid,3-pyridylboronic acid,3-pyridineboronic acid,pyridin-3-yl boronic acid,3-pyridinylboronic acid,pyridin-3-yl-3-boronic acid,3-pyridineboric acid,3-pyridinebornic acid,pyridyl-3-boronic acid,pyridine 3-boronic acid PubChem CID: 2734378 SMILES: OB(O)C1=CC=CN=C1
| PubChem CID | 2734378 |
|---|---|
| CAS | 1692-25-7 |
| Molecular Weight (g/mol) | 122.92 |
| MDL Number | MFCD00674177 |
| SMILES | OB(O)C1=CC=CN=C1 |
| Synonym | pyridine-3-boronic acid,3-pyridylboronic acid,3-pyridineboronic acid,pyridin-3-yl boronic acid,3-pyridinylboronic acid,pyridin-3-yl-3-boronic acid,3-pyridineboric acid,3-pyridinebornic acid,pyridyl-3-boronic acid,pyridine 3-boronic acid |
| InChI Key | ABMYEXAYWZJVOV-UHFFFAOYSA-N |
| Molecular Formula | C5H6BNO2 |
4-Trifluoromethoxyphenylboronic acid, 98%
CAS: 139301-27-2 Molecular Formula: C7H6BF3O3 Molecular Weight (g/mol): 205.93 MDL Number: MFCD01074648 InChI Key: HUOFUOCSQCYFPW-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy phenylboronic acid,4-trifluoromethoxyphenylboronic acid,4-trifluoromethoxy benzeneboronic acid,4-trifluoromethoxy phenyl boronic acid,4-trifluoromethoxy phenyl boranediol,p-trifluoromethoxy phenylboronic acid,4-trifluoromethoxy-phenyl boronic acid,boronic acid, 4-trifluoromethoxy phenyl,4-trifluoromethoxy phenylboronicacid PubChem CID: 2734386 IUPAC Name: [4-(trifluoromethoxy)phenyl]boronic acid SMILES: OB(O)C1=CC=C(OC(F)(F)F)C=C1
| PubChem CID | 2734386 |
|---|---|
| CAS | 139301-27-2 |
| Molecular Weight (g/mol) | 205.93 |
| MDL Number | MFCD01074648 |
| SMILES | OB(O)C1=CC=C(OC(F)(F)F)C=C1 |
| Synonym | 4-trifluoromethoxy phenylboronic acid,4-trifluoromethoxyphenylboronic acid,4-trifluoromethoxy benzeneboronic acid,4-trifluoromethoxy phenyl boronic acid,4-trifluoromethoxy phenyl boranediol,p-trifluoromethoxy phenylboronic acid,4-trifluoromethoxy-phenyl boronic acid,boronic acid, 4-trifluoromethoxy phenyl,4-trifluoromethoxy phenylboronicacid |
| IUPAC Name | [4-(trifluoromethoxy)phenyl]boronic acid |
| InChI Key | HUOFUOCSQCYFPW-UHFFFAOYSA-N |
| Molecular Formula | C7H6BF3O3 |
Allylboronic acid pinacol ester, 98%
CAS: 72824-04-5 Molecular Formula: C9H17BO2 Molecular Weight (g/mol): 168.04 MDL Number: MFCD00013347 InChI Key: YMHIEPNFCBNQQU-UHFFFAOYSA-N Synonym: allylboronic acid pinacol ester,2-allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,allylboronic acid, pinacol cyclic ester,4,4,5,5-tetramethyl-2-prop-2-en-1-yl-1,3,2-dioxaborolane,allylboronic acid piracol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-propenyl,2-prop-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,allylboronicacidpinacolester,pinacol allylboronate,abape PubChem CID: 2763171 IUPAC Name: 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(CC=C)OC1(C)C
| PubChem CID | 2763171 |
|---|---|
| CAS | 72824-04-5 |
| Molecular Weight (g/mol) | 168.04 |
| MDL Number | MFCD00013347 |
| SMILES | CC1(C)OB(CC=C)OC1(C)C |
| Synonym | allylboronic acid pinacol ester,2-allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,allylboronic acid, pinacol cyclic ester,4,4,5,5-tetramethyl-2-prop-2-en-1-yl-1,3,2-dioxaborolane,allylboronic acid piracol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-propenyl,2-prop-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,allylboronicacidpinacolester,pinacol allylboronate,abape |
| IUPAC Name | 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane |
| InChI Key | YMHIEPNFCBNQQU-UHFFFAOYSA-N |
| Molecular Formula | C9H17BO2 |
(S)-2-Hydroxy-3-buten-1-yl p-tosylate, 99%, Thermo Scientific™
CAS: 133095-74-6 Molecular Formula: C11H14O4S Molecular Weight (g/mol): 242.29 MDL Number: MFCD00145259 InChI Key: YQSCDBZHHLIPOI-JTQLQIEISA-N Synonym: s-3-butene-1,2-diol-1-p-toluenesulfonate,s-2-hydroxy-3-butenyl tosylate,3-butene-1,2-diol, 1-4-methylbenzenesulfonate , 2s,2s-1-4-methylbenzenesulfonyl oxy but-3-en-2-ol,pubchem6792,s-3-butene-1,2-diol 1-tosylate,2s-2-hydroxybut-3-enyl 4-methylbenzenesulfonate,s-4-4-methylphenyl sulfonyl oxy-1-butene-3-ol,s-toluene-4-sulfonic acid 2-hydroxy-but-3-enyl ester,3-butene-1,2-diol,1-4-methylbenzenesulfonate , 2s PubChem CID: 7015761 IUPAC Name: [(2S)-2-hydroxybut-3-enyl] 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](O)C=C
| PubChem CID | 7015761 |
|---|---|
| CAS | 133095-74-6 |
| Molecular Weight (g/mol) | 242.29 |
| MDL Number | MFCD00145259 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](O)C=C |
| Synonym | s-3-butene-1,2-diol-1-p-toluenesulfonate,s-2-hydroxy-3-butenyl tosylate,3-butene-1,2-diol, 1-4-methylbenzenesulfonate , 2s,2s-1-4-methylbenzenesulfonyl oxy but-3-en-2-ol,pubchem6792,s-3-butene-1,2-diol 1-tosylate,2s-2-hydroxybut-3-enyl 4-methylbenzenesulfonate,s-4-4-methylphenyl sulfonyl oxy-1-butene-3-ol,s-toluene-4-sulfonic acid 2-hydroxy-but-3-enyl ester,3-butene-1,2-diol,1-4-methylbenzenesulfonate , 2s |
| IUPAC Name | [(2S)-2-hydroxybut-3-enyl] 4-methylbenzenesulfonate |
| InChI Key | YQSCDBZHHLIPOI-JTQLQIEISA-N |
| Molecular Formula | C11H14O4S |
Sodium Benzoate, Powder, NF, 99-101%, Spectrum™ Chemical
CAS: 532-32-1 Molecular Formula: C7H5NaO2 Molecular Weight (g/mol): 144.11 MDL Number: MFCD00012463 InChI Key: WXMKPNITSTVMEF-UHFFFAOYSA-M IUPAC Name: sodium benzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC=C1
| CAS | 532-32-1 |
|---|---|
| Molecular Weight (g/mol) | 144.11 |
| MDL Number | MFCD00012463 |
| SMILES | [Na+].[O-]C(=O)C1=CC=CC=C1 |
| IUPAC Name | sodium benzoate |
| InChI Key | WXMKPNITSTVMEF-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO2 |
Methyl 4-[3-(dimethylamino)propoxy]benzoate, 97%, Thermo Scientific™
CAS: 190660-97-0 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.30 MDL Number: MFCD06203847 InChI Key: SRXQDDFKGDLAJM-UHFFFAOYSA-N Synonym: methyl 4-3-dimethylamino propoxy benzoate,4-3-dimethylamino-propoxy-benzoic acid methyl ester,methyl 4-3-n,n-dimethylamino-1-propyloxy benzoate,methyl-4-3-n,n-dimethylamino-1-propyloxy benzoate PubChem CID: 18508114 IUPAC Name: methyl 4-[3-(dimethylamino)propoxy]benzoate SMILES: COC(=O)C1=CC=C(OCCCN(C)C)C=C1
| PubChem CID | 18508114 |
|---|---|
| CAS | 190660-97-0 |
| Molecular Weight (g/mol) | 237.30 |
| MDL Number | MFCD06203847 |
| SMILES | COC(=O)C1=CC=C(OCCCN(C)C)C=C1 |
| Synonym | methyl 4-3-dimethylamino propoxy benzoate,4-3-dimethylamino-propoxy-benzoic acid methyl ester,methyl 4-3-n,n-dimethylamino-1-propyloxy benzoate,methyl-4-3-n,n-dimethylamino-1-propyloxy benzoate |
| IUPAC Name | methyl 4-[3-(dimethylamino)propoxy]benzoate |
| InChI Key | SRXQDDFKGDLAJM-UHFFFAOYSA-N |
| Molecular Formula | C13H19NO3 |
n-Butylboronic acid, 98%
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,1-butane boronic acid,butylboric acid,butyl boronic acid,chembl31962,1-butyldihydroxyborane PubChem CID: 20479 IUPAC Name: butylboronic acid SMILES: CCCCB(O)O
| PubChem CID | 20479 |
|---|---|
| CAS | 4426-47-5 |
| Molecular Weight (g/mol) | 101.94 |
| MDL Number | MFCD00002106 |
| SMILES | CCCCB(O)O |
| Synonym | n-butylboronic acid,1-butylboronic acid,1-butaneboronic acid,n-butaneboronic acid,boronic acid, butyl,1-butane boronic acid,butylboric acid,butyl boronic acid,chembl31962,1-butyldihydroxyborane |
| IUPAC Name | butylboronic acid |
| InChI Key | QPKFVRWIISEVCW-UHFFFAOYSA-N |
| Molecular Formula | C4H11BO2 |
Methyl 3-(2-morpholin-4-ylethoxy)benzoate, 97%, Thermo Scientific™
CAS: 249937-00-6 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.31 MDL Number: MFCD08060518 InChI Key: VOYSHDFODOJUMP-UHFFFAOYSA-N Synonym: methyl 3-2-morpholin-4-ylethoxy benzoate,methyl 3-2-morpholin-4-yl ethoxy benzoate,methyl 3-2-morpholinoethoxy benzoate,methyl 3-2-morpholin4-ylethoxy benzoate,3-2-morpholin-4-yl-ethoxy-benzoic acid methyl ester,benzoic acid,3-2-4-morpholinyl ethoxy-, methyl ester PubChem CID: 7164628 IUPAC Name: methyl 3-(2-morpholin-4-ylethoxy)benzoate SMILES: COC(=O)C1=CC(OCCN2CCOCC2)=CC=C1
| PubChem CID | 7164628 |
|---|---|
| CAS | 249937-00-6 |
| Molecular Weight (g/mol) | 265.31 |
| MDL Number | MFCD08060518 |
| SMILES | COC(=O)C1=CC(OCCN2CCOCC2)=CC=C1 |
| Synonym | methyl 3-2-morpholin-4-ylethoxy benzoate,methyl 3-2-morpholin-4-yl ethoxy benzoate,methyl 3-2-morpholinoethoxy benzoate,methyl 3-2-morpholin4-ylethoxy benzoate,3-2-morpholin-4-yl-ethoxy-benzoic acid methyl ester,benzoic acid,3-2-4-morpholinyl ethoxy-, methyl ester |
| IUPAC Name | methyl 3-(2-morpholin-4-ylethoxy)benzoate |
| InChI Key | VOYSHDFODOJUMP-UHFFFAOYSA-N |
| Molecular Formula | C14H19NO4 |
Methyl DL-2-bromopropionate, 99%
CAS: 5445-17-0 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167 MDL Number: MFCD00000143 InChI Key: ACEONLNNWKIPTM-UHFFFAOYSA-N PubChem CID: 95576 IUPAC Name: methyl 2-bromopropanoate SMILES: CC(C(=O)OC)Br
| PubChem CID | 95576 |
|---|---|
| CAS | 5445-17-0 |
| Molecular Weight (g/mol) | 167 |
| MDL Number | MFCD00000143 |
| SMILES | CC(C(=O)OC)Br |
| IUPAC Name | methyl 2-bromopropanoate |
| InChI Key | ACEONLNNWKIPTM-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
L(-)-Lactic acid, lithium salt, 99%, pure
CAS: 27848-80-2 Molecular Formula: C3H5O3Li Molecular Weight (g/mol): 96.01 MDL Number: MFCD00065512 InChI Key: GKQWYZBANWAFMQ-DKWTVANSSA-M Synonym: lithium s-2-hydroxypropanoate,l-lactic acid lithium salt,lithium l-lactate,s-2-hydroxypropionic acid lithium salt,sarcolactic acid lithium salt,lithium 1+ l-+-lactate,lithiuml-lactate,lithotab l-lactate,lactic acid lithium salt,c3h5o3.li PubChem CID: 23687877 IUPAC Name: lithium;(2S)-2-hydroxypropanoate SMILES: [Li+].CC(C(=O)[O-])O
| PubChem CID | 23687877 |
|---|---|
| CAS | 27848-80-2 |
| Molecular Weight (g/mol) | 96.01 |
| MDL Number | MFCD00065512 |
| SMILES | [Li+].CC(C(=O)[O-])O |
| Synonym | lithium s-2-hydroxypropanoate,l-lactic acid lithium salt,lithium l-lactate,s-2-hydroxypropionic acid lithium salt,sarcolactic acid lithium salt,lithium 1+ l-+-lactate,lithiuml-lactate,lithotab l-lactate,lactic acid lithium salt,c3h5o3.li |
| IUPAC Name | lithium;(2S)-2-hydroxypropanoate |
| InChI Key | GKQWYZBANWAFMQ-DKWTVANSSA-M |
| Molecular Formula | C3H5O3Li |
3-Aminobenzeneboronic acid monohydrate, 97%
CAS: 206658-89-1 Molecular Formula: C6H10BNO3 Molecular Weight (g/mol): 154.96 MDL Number: MFCD00149554 InChI Key: XAEOVQODHLLNKX-UHFFFAOYSA-N Synonym: 3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate,boronic acid, 3-aminophenyl-, monohydrate,3-aminobenzeneboronic acid hydrate,pubchem4016,acmc-1cfgg,3-boronoaniline monohydrate PubChem CID: 14389423 IUPAC Name: (3-aminophenyl)boronic acid;hydrate SMILES: O.NC1=CC=CC(=C1)B(O)O
| PubChem CID | 14389423 |
|---|---|
| CAS | 206658-89-1 |
| Molecular Weight (g/mol) | 154.96 |
| MDL Number | MFCD00149554 |
| SMILES | O.NC1=CC=CC(=C1)B(O)O |
| Synonym | 3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate,boronic acid, 3-aminophenyl-, monohydrate,3-aminobenzeneboronic acid hydrate,pubchem4016,acmc-1cfgg,3-boronoaniline monohydrate |
| IUPAC Name | (3-aminophenyl)boronic acid;hydrate |
| InChI Key | XAEOVQODHLLNKX-UHFFFAOYSA-N |
| Molecular Formula | C6H10BNO3 |