Organic acids and derivatives
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Ethyl tridecanoate, 97%
CAS: 28267-29-0 Molecular Formula: C15H30O2 Molecular Weight (g/mol): 242.403 MDL Number: MFCD00008978 InChI Key: QJYYMNOTJXIOBP-UHFFFAOYSA-N Synonym: tridecanoic acid ethyl ester,tridecanoic acid, ethyl ester,ethyltridecanoate,ethyl=tridecanoate,tridecanoic acid, ethylester,acmc-1cr51,ethyl tridecanoate,n-tridecanoic acid ethyl ester PubChem CID: 119908 IUPAC Name: ethyl tridecanoate SMILES: CCCCCCCCCCCCC(=O)OCC
| PubChem CID | 119908 |
|---|---|
| CAS | 28267-29-0 |
| Molecular Weight (g/mol) | 242.403 |
| MDL Number | MFCD00008978 |
| SMILES | CCCCCCCCCCCCC(=O)OCC |
| Synonym | tridecanoic acid ethyl ester,tridecanoic acid, ethyl ester,ethyltridecanoate,ethyl=tridecanoate,tridecanoic acid, ethylester,acmc-1cr51,ethyl tridecanoate,n-tridecanoic acid ethyl ester |
| IUPAC Name | ethyl tridecanoate |
| InChI Key | QJYYMNOTJXIOBP-UHFFFAOYSA-N |
| Molecular Formula | C15H30O2 |
Pentaerythritol triacrylate, stab. with 4-methoxyphenol
CAS: 3524-68-3 Molecular Formula: C14H18O7 Molecular Weight (g/mol): 298.291 MDL Number: MFCD00009607 InChI Key: HVVWZTWDBSEWIH-UHFFFAOYSA-N Synonym: pentaerythritol triacrylate,peta,pentaerythrityl triacrylate,gafgard 233,kayarad pet 30,sartomer sr 444,aronix m 305,setalux uv 2242,light acrylate pe 3a,p 300 acrylate PubChem CID: 19042 IUPAC Name: [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate SMILES: C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C
| PubChem CID | 19042 |
|---|---|
| CAS | 3524-68-3 |
| Molecular Weight (g/mol) | 298.291 |
| MDL Number | MFCD00009607 |
| SMILES | C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C |
| Synonym | pentaerythritol triacrylate,peta,pentaerythrityl triacrylate,gafgard 233,kayarad pet 30,sartomer sr 444,aronix m 305,setalux uv 2242,light acrylate pe 3a,p 300 acrylate |
| IUPAC Name | [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate |
| InChI Key | HVVWZTWDBSEWIH-UHFFFAOYSA-N |
| Molecular Formula | C14H18O7 |
Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 99%, Thermo Scientific™
CAS: 4506-71-2 InChI Key: CDYVTVLXEWMCHU-UHFFFAOYSA-N PubChem CID: 78262 IUPAC Name: ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)N
| PubChem CID | 78262 |
|---|---|
| CAS | 4506-71-2 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)N |
| IUPAC Name | ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| InChI Key | CDYVTVLXEWMCHU-UHFFFAOYSA-N |
2,2-Di-n-propylacetic acid, 98+%
CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O
| PubChem CID | 3121 |
|---|---|
| CAS | 99-66-1 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:39867 |
| MDL Number | MFCD00002672 |
| SMILES | CCCC(CCC)C(O)=O |
| Synonym | valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl |
| IUPAC Name | 2-propylpentanoic acid |
| InChI Key | NIJJYAXOARWZEE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
tert-Butyl acetate, 99%
CAS: 540-88-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008807 InChI Key: WMOVHXAZOJBABW-UHFFFAOYSA-N Synonym: t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate PubChem CID: 10908 IUPAC Name: tert-butyl acetate SMILES: CC(=O)OC(C)(C)C
| PubChem CID | 10908 |
|---|---|
| CAS | 540-88-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00008807 |
| SMILES | CC(=O)OC(C)(C)C |
| Synonym | t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate |
| IUPAC Name | tert-butyl acetate |
| InChI Key | WMOVHXAZOJBABW-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
1H-Indole-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 1477-50-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005611 InChI Key: HCUARRIEZVDMPT-UHFFFAOYSA-N Synonym: indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole PubChem CID: 72899 IUPAC Name: 1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 72899 |
|---|---|
| CAS | 1477-50-5 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00005611 |
| SMILES | OC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole |
| IUPAC Name | 1H-indole-2-carboxylic acid |
| InChI Key | HCUARRIEZVDMPT-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
Ethyl 4-hydroxy-3-methoxycinnamate, 98%
CAS: 4046-02-0 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009190 InChI Key: ATJVZXXHKSYELS-FNORWQNLSA-N Synonym: ethyl ferulate,ferulic acid ethyl ester,ethyl 3-4-hydroxy-3-methoxyphenyl acrylate,unii-5b8915uelw,ethyl 4'-hydroxy-3'-methoxycinnamate,e-ethyl 3-4-hydroxy-3-methoxyphenyl acrylate,ethyl 2e-3-4-hydroxy-3-methoxyphenyl prop-2-enoate,ethyl 4-hydroxy-3-methoxycinnamate,e-3-4-hydroxy-3-methoxy-phenyl-acrylic acid ethyl ester,ethyl 4-hydroxy-3-methoxycinnamate ferulic acid ethyl ester PubChem CID: 736681 IUPAC Name: ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate SMILES: CCOC(=O)C=CC1=CC(=C(C=C1)O)OC
| PubChem CID | 736681 |
|---|---|
| CAS | 4046-02-0 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00009190 |
| SMILES | CCOC(=O)C=CC1=CC(=C(C=C1)O)OC |
| Synonym | ethyl ferulate,ferulic acid ethyl ester,ethyl 3-4-hydroxy-3-methoxyphenyl acrylate,unii-5b8915uelw,ethyl 4'-hydroxy-3'-methoxycinnamate,e-ethyl 3-4-hydroxy-3-methoxyphenyl acrylate,ethyl 2e-3-4-hydroxy-3-methoxyphenyl prop-2-enoate,ethyl 4-hydroxy-3-methoxycinnamate,e-3-4-hydroxy-3-methoxy-phenyl-acrylic acid ethyl ester,ethyl 4-hydroxy-3-methoxycinnamate ferulic acid ethyl ester |
| IUPAC Name | ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| InChI Key | ATJVZXXHKSYELS-FNORWQNLSA-N |
| Molecular Formula | C12H14O4 |
Ethyl propionate
CAS: 105-37-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00009308 InChI Key: FKRCODPIKNYEAC-UHFFFAOYSA-N Synonym: ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester PubChem CID: 7749 ChEBI: CHEBI:41330 IUPAC Name: ethyl propanoate SMILES: CCC(=O)OCC
| PubChem CID | 7749 |
|---|---|
| CAS | 105-37-3 |
| Molecular Weight (g/mol) | 102.133 |
| ChEBI | CHEBI:41330 |
| MDL Number | MFCD00009308 |
| SMILES | CCC(=O)OCC |
| Synonym | ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester |
| IUPAC Name | ethyl propanoate |
| InChI Key | FKRCODPIKNYEAC-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
n-Propyl Acetate, 99%, Spectrum™ Chemical
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CAS: 109-60-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 InChI Key: YKYONYBAUNKHLG-UHFFFAOYSA-N IUPAC Name: propyl acetate SMILES: CCCOC(C)=O
| CAS | 109-60-4 |
|---|---|
| Molecular Weight (g/mol) | 102.13 |
| SMILES | CCCOC(C)=O |
| IUPAC Name | propyl acetate |
| InChI Key | YKYONYBAUNKHLG-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Methylurea, 98%
CAS: 598-50-5 Molecular Formula: C2H6N2O Molecular Weight (g/mol): 74.083 MDL Number: MFCD00007950 InChI Key: XGEGHDBEHXKFPX-UHFFFAOYSA-N Synonym: 1-methylurea,n-methylurea,monomethylurea,urea, methyl,methyl urea,urea, n-methyl,methylmocovina,methylmocovina czech,methylharnstoff german,n-methyl urea PubChem CID: 11719 ChEBI: CHEBI:44383 IUPAC Name: methylurea SMILES: CNC(=O)N
| PubChem CID | 11719 |
|---|---|
| CAS | 598-50-5 |
| Molecular Weight (g/mol) | 74.083 |
| ChEBI | CHEBI:44383 |
| MDL Number | MFCD00007950 |
| SMILES | CNC(=O)N |
| Synonym | 1-methylurea,n-methylurea,monomethylurea,urea, methyl,methyl urea,urea, n-methyl,methylmocovina,methylmocovina czech,methylharnstoff german,n-methyl urea |
| IUPAC Name | methylurea |
| InChI Key | XGEGHDBEHXKFPX-UHFFFAOYSA-N |
| Molecular Formula | C2H6N2O |
Cesium Acetate, Ultrapure, 99.99%, Spectrum™ Chemical
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CAS: 3396-11-0
| CAS | 3396-11-0 |
|---|
Ethyl 5-n-propyl-1H-pyrazole-3-carboxylate, 98%
CAS: 92945-27-2 Molecular Formula: C9H14N2O2 Molecular Weight (g/mol): 182.223 MDL Number: MFCD02093950 InChI Key: SUALHSUMUQQLJP-UHFFFAOYSA-N Synonym: ethyl 3-n-propylpyrazole-5-carboxylate,ethyl 3-propyl-1h-pyrazole-5-carboxylate,ethyl 5-n-propyl-1h-pyrazole-3-carboxylate,ethyl 5-propylpyrazole-3-carboxylate,3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester,5-propyl-2h-pyrazole-3-carboxylic acid ethyl ester,ethyl 5-propyl-2h-pyrazole-3-carboxylate,3-n-propylpyrazole-5-carboxylic acid ethyl ester,ethyl 3-propylpyrazole-5-carboxylate,1h-pyrazole-3-carboxylic acid, 5-propyl-, ethyl ester PubChem CID: 7365260 IUPAC Name: ethyl 5-propyl-1H-pyrazole-3-carboxylate SMILES: CCCC1=CC(=NN1)C(=O)OCC
| PubChem CID | 7365260 |
|---|---|
| CAS | 92945-27-2 |
| Molecular Weight (g/mol) | 182.223 |
| MDL Number | MFCD02093950 |
| SMILES | CCCC1=CC(=NN1)C(=O)OCC |
| Synonym | ethyl 3-n-propylpyrazole-5-carboxylate,ethyl 3-propyl-1h-pyrazole-5-carboxylate,ethyl 5-n-propyl-1h-pyrazole-3-carboxylate,ethyl 5-propylpyrazole-3-carboxylate,3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester,5-propyl-2h-pyrazole-3-carboxylic acid ethyl ester,ethyl 5-propyl-2h-pyrazole-3-carboxylate,3-n-propylpyrazole-5-carboxylic acid ethyl ester,ethyl 3-propylpyrazole-5-carboxylate,1h-pyrazole-3-carboxylic acid, 5-propyl-, ethyl ester |
| IUPAC Name | ethyl 5-propyl-1H-pyrazole-3-carboxylate |
| InChI Key | SUALHSUMUQQLJP-UHFFFAOYSA-N |
| Molecular Formula | C9H14N2O2 |
N,N'-Di-n-butylurea, 98%
CAS: 1792-17-2 Molecular Formula: C9H20N2O Molecular Weight (g/mol): 172.27 MDL Number: MFCD00015229 InChI Key: AQSQFWLMFCKKMG-UHFFFAOYSA-N Synonym: n,n'-dibutylurea,n,n'-di-n-butylurea,urea, n,n'-dibutyl,1,3-dibutyl urea,unii-j2hug1i10w,j2hug1i10w,n-butyl butylamino carboxamide,nn'-dibutylurea,urea,n'-dibutyl,1,3-dibutyl-urea PubChem CID: 74523 IUPAC Name: 1,3-dibutylurea SMILES: CCCCNC(=O)NCCCC
| PubChem CID | 74523 |
|---|---|
| CAS | 1792-17-2 |
| Molecular Weight (g/mol) | 172.27 |
| MDL Number | MFCD00015229 |
| SMILES | CCCCNC(=O)NCCCC |
| Synonym | n,n'-dibutylurea,n,n'-di-n-butylurea,urea, n,n'-dibutyl,1,3-dibutyl urea,unii-j2hug1i10w,j2hug1i10w,n-butyl butylamino carboxamide,nn'-dibutylurea,urea,n'-dibutyl,1,3-dibutyl-urea |
| IUPAC Name | 1,3-dibutylurea |
| InChI Key | AQSQFWLMFCKKMG-UHFFFAOYSA-N |
| Molecular Formula | C9H20N2O |
Chloroacetic Acid, Crystal, ACS, 99%, Spectrum™ Chemical
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CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.49 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N IUPAC Name: 2-chloroacetic acid SMILES: OC(=O)CCl
| CAS | 79-11-8 |
|---|---|
| Molecular Weight (g/mol) | 94.49 |
| SMILES | OC(=O)CCl |
| IUPAC Name | 2-chloroacetic acid |
| InChI Key | FOCAUTSVDIKZOP-UHFFFAOYSA-N |
| Molecular Formula | C2H3ClO2 |
n-Propyl Alcohol, ACS, 99.5%, Spectrum™ Chemical
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CAS: 71-23-8 Molecular Formula: C3H8O Molecular Weight (g/mol): 60.10 InChI Key: BDERNNFJNOPAEC-UHFFFAOYSA-N IUPAC Name: propan-1-ol SMILES: CCCO
| CAS | 71-23-8 |
|---|---|
| Molecular Weight (g/mol) | 60.10 |
| SMILES | CCCO |
| IUPAC Name | propan-1-ol |
| InChI Key | BDERNNFJNOPAEC-UHFFFAOYSA-N |
| Molecular Formula | C3H8O |