Organic acids and derivatives
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4-Hydroxy-6-methyl-2-pyrone, 98%
CAS: 675-10-5 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006641,MFCD18820248 InChI Key: OOKCZXGEYPSNIM-UHFFFAOYSA-N Synonym: 4-hydroxy-6-methyl-2-pyrone,2-hydroxy-6-methyl-4h-pyran-4-one,4-hydroxy-6-methyl-2h-pyran-2-one,triacetic acid lactone,triacetate lactone,2h-pyran-2-one, 4-hydroxy-6-methyl,6-methyl-4-hydroxypyron-2,unii-s1s883s4ee,6-methyl-4-hydroxy-2-pyrone,ccris 3600 PubChem CID: 54675757 ChEBI: CHEBI:16458 IUPAC Name: 4-hydroxy-6-methylpyran-2-one SMILES: CC1=CC(=O)C=C(O)O1
| PubChem CID | 54675757 |
|---|---|
| CAS | 675-10-5 |
| Molecular Weight (g/mol) | 126.11 |
| ChEBI | CHEBI:16458 |
| MDL Number | MFCD00006641,MFCD18820248 |
| SMILES | CC1=CC(=O)C=C(O)O1 |
| Synonym | 4-hydroxy-6-methyl-2-pyrone,2-hydroxy-6-methyl-4h-pyran-4-one,4-hydroxy-6-methyl-2h-pyran-2-one,triacetic acid lactone,triacetate lactone,2h-pyran-2-one, 4-hydroxy-6-methyl,6-methyl-4-hydroxypyron-2,unii-s1s883s4ee,6-methyl-4-hydroxy-2-pyrone,ccris 3600 |
| IUPAC Name | 4-hydroxy-6-methylpyran-2-one |
| InChI Key | OOKCZXGEYPSNIM-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
N,N-Dimethylformamide dipropyl acetal, ≥97.5%, MilliporeSigma™ Supelco™
MDL Number: MFCD00009374 Synonym: 1,1-Dipropoxy-N,N-dimethylmethylamine; 1,1-Dipropoxytrimethylamine
| MDL Number | MFCD00009374 |
|---|---|
| Synonym | 1,1-Dipropoxy-N,N-dimethylmethylamine; 1,1-Dipropoxytrimethylamine |
3-(4-Pyridyl)acrylic acid, 97%, Thermo Scientific™
CAS: 5337-79-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00040746 InChI Key: SSAYTINUCCRGDR-OWOJBTEDSA-N Synonym: 3-4-pyridyl acrylic acid,trans-3-4-pyridyl acrylic acid,3-pyridin-4-yl-acrylic acid,4-pyridineacrylic acid,e-3-pyridin-4-yl acrylic acid,3-pyridin-4-yl acrylic acid,2e-3-pyridin-4-ylacrylic acid,3-4-pyridine acrylic acid,2e-3-pyridin-4-yl prop-2-enoic acid,e-3-pyridin-4-yl-acrylic acid PubChem CID: 736782 IUPAC Name: (E)-3-pyridin-4-ylprop-2-enoic acid SMILES: C1=CN=CC=C1C=CC(=O)O
| PubChem CID | 736782 |
|---|---|
| CAS | 5337-79-1 |
| Molecular Weight (g/mol) | 149.15 |
| MDL Number | MFCD00040746 |
| SMILES | C1=CN=CC=C1C=CC(=O)O |
| Synonym | 3-4-pyridyl acrylic acid,trans-3-4-pyridyl acrylic acid,3-pyridin-4-yl-acrylic acid,4-pyridineacrylic acid,e-3-pyridin-4-yl acrylic acid,3-pyridin-4-yl acrylic acid,2e-3-pyridin-4-ylacrylic acid,3-4-pyridine acrylic acid,2e-3-pyridin-4-yl prop-2-enoic acid,e-3-pyridin-4-yl-acrylic acid |
| IUPAC Name | (E)-3-pyridin-4-ylprop-2-enoic acid |
| InChI Key | SSAYTINUCCRGDR-OWOJBTEDSA-N |
| Molecular Formula | C8H7NO2 |
Benzyl cinnamate, 99%
CAS: 103-41-3 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.29 MDL Number: MFCD00004789,MFCD00004789,MFCD00004789 InChI Key: NGHOLYJTSCBCGC-VAWYXSNFSA-N Synonym: benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z PubChem CID: 15558051 IUPAC Name: benzyl (Z)-3-phenylprop-2-enoate SMILES: O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1
| PubChem CID | 15558051 |
|---|---|
| CAS | 103-41-3 |
| Molecular Weight (g/mol) | 238.29 |
| MDL Number | MFCD00004789,MFCD00004789,MFCD00004789 |
| SMILES | O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1 |
| Synonym | benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z |
| IUPAC Name | benzyl (Z)-3-phenylprop-2-enoate |
| InChI Key | NGHOLYJTSCBCGC-VAWYXSNFSA-N |
| Molecular Formula | C16H14O2 |
Spironolactone, USP, 97-103%, Spectrum™ Chemical
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CAS: 52-01-7 Molecular Formula: C24H32O4S Molecular Weight (g/mol): 416.58 InChI Key: LXMSZDCAJNLERA-ZHYRCANASA-N IUPAC Name: (1R,3aS,3bR,4R,9aR,9bS,11aS)-4-(acetylsulfanyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione SMILES: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
| CAS | 52-01-7 |
|---|---|
| Molecular Weight (g/mol) | 416.58 |
| SMILES | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |
| IUPAC Name | (1R,3aS,3bR,4R,9aR,9bS,11aS)-4-(acetylsulfanyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione |
| InChI Key | LXMSZDCAJNLERA-ZHYRCANASA-N |
| Molecular Formula | C24H32O4S |
Sodium Valproate, EP, 98.5-101%, Spectrum™ Chemical
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CAS: 1069-66-5 Molecular Formula: C8H15NaO2 Molecular Weight (g/mol): 166.20 InChI Key: AEQFSUDEHCCHBT-UHFFFAOYSA-M IUPAC Name: sodium 2-propylpentanoate SMILES: [Na+].CCCC(CCC)C([O-])=O
| CAS | 1069-66-5 |
|---|---|
| Molecular Weight (g/mol) | 166.20 |
| SMILES | [Na+].CCCC(CCC)C([O-])=O |
| IUPAC Name | sodium 2-propylpentanoate |
| InChI Key | AEQFSUDEHCCHBT-UHFFFAOYSA-M |
| Molecular Formula | C8H15NaO2 |
2-Chloro-5-methoxybenzeneboronic acid, 98%
CAS: 89694-46-2 Molecular Formula: C7H8BClO3 Molecular Weight (g/mol): 186.40 MDL Number: MFCD06659858 InChI Key: REFXAANPQCJZRY-UHFFFAOYSA-N Synonym: 2-chloro-5-methoxyphenyl boronic acid,2-chloro-5-methoxyphenylboronicacid,3-borono-4-chloroanisole,2-chloro-5-methoxybenzeneboronic acid,2-chloro-5-methoxy-phenyl boronic acid,boronic acid, 2-chloro-5-methoxyphenyl,pubchem6932,acmc-209r2h,2-chloro-5-methoxylphenylboronic acid PubChem CID: 17750233 IUPAC Name: (2-chloro-5-methoxyphenyl)boronic acid SMILES: COC1=CC=C(Cl)C(=C1)B(O)O
| PubChem CID | 17750233 |
|---|---|
| CAS | 89694-46-2 |
| Molecular Weight (g/mol) | 186.40 |
| MDL Number | MFCD06659858 |
| SMILES | COC1=CC=C(Cl)C(=C1)B(O)O |
| Synonym | 2-chloro-5-methoxyphenyl boronic acid,2-chloro-5-methoxyphenylboronicacid,3-borono-4-chloroanisole,2-chloro-5-methoxybenzeneboronic acid,2-chloro-5-methoxy-phenyl boronic acid,boronic acid, 2-chloro-5-methoxyphenyl,pubchem6932,acmc-209r2h,2-chloro-5-methoxylphenylboronic acid |
| IUPAC Name | (2-chloro-5-methoxyphenyl)boronic acid |
| InChI Key | REFXAANPQCJZRY-UHFFFAOYSA-N |
| Molecular Formula | C7H8BClO3 |
Ethyl isobutyrate, 99%
CAS: 97-62-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.18 MDL Number: MFCD00009165 InChI Key: WDAXFOBOLVPGLV-UHFFFAOYSA-N Synonym: ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural PubChem CID: 7342 ChEBI: CHEBI:87303 IUPAC Name: ethyl 2-methylpropanoate SMILES: CCOC(=O)C(C)C
| PubChem CID | 7342 |
|---|---|
| CAS | 97-62-1 |
| Molecular Weight (g/mol) | 116.18 |
| ChEBI | CHEBI:87303 |
| MDL Number | MFCD00009165 |
| SMILES | CCOC(=O)C(C)C |
| Synonym | ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural |
| IUPAC Name | ethyl 2-methylpropanoate |
| InChI Key | WDAXFOBOLVPGLV-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
1-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 |
2-Naphthylacetic acid, 99%
CAS: 581-96-4 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004126 InChI Key: VIBOGIYPPWLDTI-UHFFFAOYSA-N Synonym: 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid PubChem CID: 11393 ChEBI: CHEBI:37837 IUPAC Name: 2-naphthalen-2-ylacetic acid SMILES: OC(=O)CC1=CC=C2C=CC=CC2=C1
| PubChem CID | 11393 |
|---|---|
| CAS | 581-96-4 |
| Molecular Weight (g/mol) | 186.21 |
| ChEBI | CHEBI:37837 |
| MDL Number | MFCD00004126 |
| SMILES | OC(=O)CC1=CC=C2C=CC=CC2=C1 |
| Synonym | 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid |
| IUPAC Name | 2-naphthalen-2-ylacetic acid |
| InChI Key | VIBOGIYPPWLDTI-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
Diethyl 1-propylphosphonate, 97%, Thermo Scientific Chemicals
CAS: 18812-51-6 Molecular Formula: C7H17O3P Molecular Weight (g/mol): 180.184 MDL Number: MFCD00015139 InChI Key: RUIKOPXSCCGLOM-UHFFFAOYSA-N Synonym: diethyl propylphosphonate,diethyl propanephosphonate,diethyl 1-propylphosphonate,phosphonic acid, propyl-, diethyl ester,diethyl 1-propanephosphonate,diethyl-n-propylphosphonate,diethoxypropylphosphine oxide,acmc-20al9i,diethyl n-propylphosphonate,1-diethoxyphosphoryl-propane PubChem CID: 140428 IUPAC Name: 1-diethoxyphosphorylpropane SMILES: CCCP(=O)(OCC)OCC
| PubChem CID | 140428 |
|---|---|
| CAS | 18812-51-6 |
| Molecular Weight (g/mol) | 180.184 |
| MDL Number | MFCD00015139 |
| SMILES | CCCP(=O)(OCC)OCC |
| Synonym | diethyl propylphosphonate,diethyl propanephosphonate,diethyl 1-propylphosphonate,phosphonic acid, propyl-, diethyl ester,diethyl 1-propanephosphonate,diethyl-n-propylphosphonate,diethoxypropylphosphine oxide,acmc-20al9i,diethyl n-propylphosphonate,1-diethoxyphosphoryl-propane |
| IUPAC Name | 1-diethoxyphosphorylpropane |
| InChI Key | RUIKOPXSCCGLOM-UHFFFAOYSA-N |
| Molecular Formula | C7H17O3P |
(3S)-(-)-3-Acetamidopyrrolidine, 98%
CAS: 114636-31-6 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.18 MDL Number: MFCD00082748 InChI Key: HDCCJUCOIKLZNM-UHFFFAOYNA-N Synonym: 3s---3-acetamidopyrrolidine,s-n-pyrrolidin-3-yl acetamide,n-3s-pyrrolidin-3-yl acetamide,s-3-acetamidopyrrolidine,acetamide, n-3s-3-pyrrolidinyl,n-3-pyrrolidinyl acetamide #,+-n-3r-pyrrolidin-3-yl acetamide,s-3-acetamido-pyrrolidine,3s-3-acetamidopyrrolidine,s-n-pyrrolidin-3-ylacetamide PubChem CID: 7021471 IUPAC Name: N-[(3S)-pyrrolidin-3-yl]acetamide SMILES: CC(=O)NC1CCNC1
| PubChem CID | 7021471 |
|---|---|
| CAS | 114636-31-6 |
| Molecular Weight (g/mol) | 128.18 |
| MDL Number | MFCD00082748 |
| SMILES | CC(=O)NC1CCNC1 |
| Synonym | 3s---3-acetamidopyrrolidine,s-n-pyrrolidin-3-yl acetamide,n-3s-pyrrolidin-3-yl acetamide,s-3-acetamidopyrrolidine,acetamide, n-3s-3-pyrrolidinyl,n-3-pyrrolidinyl acetamide #,+-n-3r-pyrrolidin-3-yl acetamide,s-3-acetamido-pyrrolidine,3s-3-acetamidopyrrolidine,s-n-pyrrolidin-3-ylacetamide |
| IUPAC Name | N-[(3S)-pyrrolidin-3-yl]acetamide |
| InChI Key | HDCCJUCOIKLZNM-UHFFFAOYNA-N |
| Molecular Formula | C6H12N2O |
Dimethyl Carbonate, 99%, Spectrum™ Chemical
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CAS: 616-38-6
| CAS | 616-38-6 |
|---|
2-Methylbenzeneboronic acid, 98%
CAS: 16419-60-6 Molecular Formula: C7H9BO2 Molecular Weight (g/mol): 135.96 MDL Number: MFCD00093526 InChI Key: NSJVYHOPHZMZPN-UHFFFAOYSA-N Synonym: 2-tolylboronic acid,o-tolylboronic acid,2-methylbenzeneboronic acid,2-methylphenyl boronic acid,o-methylphenylboronic acid,2-methylphenyl boranediol,tolylboronic acid,o-tolueneboronic acid,toluene-2-boronic acid,boronic acid, methylphenyl PubChem CID: 2733267 IUPAC Name: (2-methylphenyl)boronic acid SMILES: CC1=CC=CC=C1B(O)O
| PubChem CID | 2733267 |
|---|---|
| CAS | 16419-60-6 |
| Molecular Weight (g/mol) | 135.96 |
| MDL Number | MFCD00093526 |
| SMILES | CC1=CC=CC=C1B(O)O |
| Synonym | 2-tolylboronic acid,o-tolylboronic acid,2-methylbenzeneboronic acid,2-methylphenyl boronic acid,o-methylphenylboronic acid,2-methylphenyl boranediol,tolylboronic acid,o-tolueneboronic acid,toluene-2-boronic acid,boronic acid, methylphenyl |
| IUPAC Name | (2-methylphenyl)boronic acid |
| InChI Key | NSJVYHOPHZMZPN-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO2 |
Benzylphosphonic acid, 98%
CAS: 6881-57-8 Molecular Formula: C7H7O3P Molecular Weight (g/mol): 170.11 MDL Number: MFCD00039519 InChI Key: OGBVRMYSNSKIEF-UHFFFAOYSA-L Synonym: benzyl-phosphonic acid,phosphonic acid, phenylmethyl,phenylmethylphosphonic acid,phosphonic acid, p-phenylmethyl,phenyl-methanephosphonic acid anion,acmc-1b2tf,phenylmethanephosphonic acid,alpha-toluenephosphonic acid,benzylphosphonic acid,bmk1-h2 PubChem CID: 81312 IUPAC Name: benzylphosphonic acid SMILES: [O-]P([O-])(=O)CC1=CC=CC=C1
| PubChem CID | 81312 |
|---|---|
| CAS | 6881-57-8 |
| Molecular Weight (g/mol) | 170.11 |
| MDL Number | MFCD00039519 |
| SMILES | [O-]P([O-])(=O)CC1=CC=CC=C1 |
| Synonym | benzyl-phosphonic acid,phosphonic acid, phenylmethyl,phenylmethylphosphonic acid,phosphonic acid, p-phenylmethyl,phenyl-methanephosphonic acid anion,acmc-1b2tf,phenylmethanephosphonic acid,alpha-toluenephosphonic acid,benzylphosphonic acid,bmk1-h2 |
| IUPAC Name | benzylphosphonic acid |
| InChI Key | OGBVRMYSNSKIEF-UHFFFAOYSA-L |
| Molecular Formula | C7H7O3P |