Organooxygen compounds
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Propyl Acetoacetate 98.0+%, TCI America™
CAS: 1779-60-8 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00059405 InChI Key: DHGFMVMDBNLMKT-UHFFFAOYSA-N Synonym: Acetoacetic Acid Propyl Ester PubChem CID: 74507 IUPAC Name: propyl 3-oxobutanoate SMILES: CCCOC(=O)CC(C)=O
| PubChem CID | 74507 |
|---|---|
| CAS | 1779-60-8 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00059405 |
| SMILES | CCCOC(=O)CC(C)=O |
| Synonym | Acetoacetic Acid Propyl Ester |
| IUPAC Name | propyl 3-oxobutanoate |
| InChI Key | DHGFMVMDBNLMKT-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Ethyl 3-Oxoheptanoate 95.0+%, TCI America™
CAS: 7737-62-4 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00143188 InChI Key: UKRVECBFDMVBPU-UHFFFAOYSA-N Synonym: Ethyl 3-Oxoenanthate, 3-Oxoheptanoic Acid Ethyl Ester, 3-Ketoheptanoic Acid Ethyl Ester, 3-Oxoenanthic Acid Ethyl Ester PubChem CID: 559036 IUPAC Name: ethyl 3-oxoheptanoate SMILES: CCCCC(=O)CC(=O)OCC
| PubChem CID | 559036 |
|---|---|
| CAS | 7737-62-4 |
| Molecular Weight (g/mol) | 172.22 |
| MDL Number | MFCD00143188 |
| SMILES | CCCCC(=O)CC(=O)OCC |
| Synonym | Ethyl 3-Oxoenanthate, 3-Oxoheptanoic Acid Ethyl Ester, 3-Ketoheptanoic Acid Ethyl Ester, 3-Oxoenanthic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-oxoheptanoate |
| InChI Key | UKRVECBFDMVBPU-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Ethyl 3-Cyclohexyl-3-oxopropionate 98.0+%, TCI America™
CAS: 15971-92-3 Molecular Formula: C11H18O3 Molecular Weight (g/mol): 198.262 MDL Number: MFCD04115574 InChI Key: ASYASKBLHYSMEG-UHFFFAOYSA-N Synonym: 3-Cyclohexyl-3-oxopropionic Acid Ethyl Ester PubChem CID: 266327 IUPAC Name: ethyl 3-cyclohexyl-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1CCCCC1
| PubChem CID | 266327 |
|---|---|
| CAS | 15971-92-3 |
| Molecular Weight (g/mol) | 198.262 |
| MDL Number | MFCD04115574 |
| SMILES | CCOC(=O)CC(=O)C1CCCCC1 |
| Synonym | 3-Cyclohexyl-3-oxopropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-cyclohexyl-3-oxopropanoate |
| InChI Key | ASYASKBLHYSMEG-UHFFFAOYSA-N |
| Molecular Formula | C11H18O3 |
Ethyl 2-Ethylacetoacetate 97.0+%, TCI America™
CAS: 607-97-6 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00039898 InChI Key: OKANYBNORCUPKZ-UHFFFAOYSA-N Synonym: ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate PubChem CID: 79065 IUPAC Name: ethyl 2-ethyl-3-oxobutanoate SMILES: CCC(C(=O)C)C(=O)OCC
| PubChem CID | 79065 |
|---|---|
| CAS | 607-97-6 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00039898 |
| SMILES | CCC(C(=O)C)C(=O)OCC |
| Synonym | ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate |
| IUPAC Name | ethyl 2-ethyl-3-oxobutanoate |
| InChI Key | OKANYBNORCUPKZ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
4-Nitrobenzyl Acetoacetate 98.0+%, TCI America™
CAS: 61312-84-3 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.211 MDL Number: MFCD00799237 InChI Key: KQPGVCMZXFBYMM-UHFFFAOYSA-N Synonym: Acetoacetic Acid 4-Nitrobenzyl Ester PubChem CID: 2760918 IUPAC Name: (4-nitrophenyl)methyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 2760918 |
|---|---|
| CAS | 61312-84-3 |
| Molecular Weight (g/mol) | 237.211 |
| MDL Number | MFCD00799237 |
| SMILES | CC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | Acetoacetic Acid 4-Nitrobenzyl Ester |
| IUPAC Name | (4-nitrophenyl)methyl 3-oxobutanoate |
| InChI Key | KQPGVCMZXFBYMM-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO5 |
Diethyl Acetonylmalonate 95.0+%, TCI America™
CAS: 23193-18-2 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.233 MDL Number: MFCD00177949 InChI Key: KGZCSZOGMMZHKB-UHFFFAOYSA-N Synonym: Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester PubChem CID: 12000252 IUPAC Name: diethyl 2-(2-oxopropyl)propanedioate SMILES: CCOC(=O)C(CC(=O)C)C(=O)OCC
| PubChem CID | 12000252 |
|---|---|
| CAS | 23193-18-2 |
| Molecular Weight (g/mol) | 216.233 |
| MDL Number | MFCD00177949 |
| SMILES | CCOC(=O)C(CC(=O)C)C(=O)OCC |
| Synonym | Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-(2-oxopropyl)propanedioate |
| InChI Key | KGZCSZOGMMZHKB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5 |
Cyclopentylmalonic Acid 98.0+%, TCI America™
CAS: 5660-81-1 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00059515 InChI Key: DRHLPIHNSBNMFF-UHFFFAOYSA-N PubChem CID: 231700 IUPAC Name: 2-cyclopentylpropanedioic acid SMILES: C1CCC(C1)C(C(=O)O)C(=O)O
| PubChem CID | 231700 |
|---|---|
| CAS | 5660-81-1 |
| Molecular Weight (g/mol) | 172.18 |
| MDL Number | MFCD00059515 |
| SMILES | C1CCC(C1)C(C(=O)O)C(=O)O |
| IUPAC Name | 2-cyclopentylpropanedioic acid |
| InChI Key | DRHLPIHNSBNMFF-UHFFFAOYSA-N |
| Molecular Formula | C8H12O4 |
Monoethyl Potassium Malonate 98.0+%, TCI America™
CAS: 6148-64-7 Molecular Formula: C5H7KO4 Molecular Weight (g/mol): 170.205 MDL Number: MFCD00035603 InChI Key: WVUCPRGADMCTBN-UHFFFAOYSA-M Synonym: ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate PubChem CID: 3446434 IUPAC Name: potassium;3-ethoxy-3-oxopropanoate SMILES: CCOC(=O)CC(=O)[O-].[K+]
| PubChem CID | 3446434 |
|---|---|
| CAS | 6148-64-7 |
| Molecular Weight (g/mol) | 170.205 |
| MDL Number | MFCD00035603 |
| SMILES | CCOC(=O)CC(=O)[O-].[K+] |
| Synonym | ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate |
| IUPAC Name | potassium;3-ethoxy-3-oxopropanoate |
| InChI Key | WVUCPRGADMCTBN-UHFFFAOYSA-M |
| Molecular Formula | C5H7KO4 |
tert-Butyl Ethyl Malonate 95.0+%, TCI America™
CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C
| PubChem CID | 96345 |
|---|---|
| CAS | 32864-38-3 |
| Molecular Weight (g/mol) | 188.223 |
| MDL Number | MFCD00009193 |
| SMILES | CCOC(=O)CC(=O)OC(C)(C)C |
| Synonym | tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate |
| IUPAC Name | 3-O-tert-butyl 1-O-ethyl propanedioate |
| InChI Key | OCOBFMZGRJOSOU-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
Ethyl 2-Oxocyclohexanecarboxylate 95.0+%, TCI America™
CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYNA-N Synonym: ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O
| PubChem CID | 95543 |
|---|---|
| CAS | 1655-07-8 |
| Molecular Weight (g/mol) | 170.21 |
| MDL Number | MFCD00001631 |
| SMILES | CCOC(=O)C1CCCCC1=O |
| Synonym | ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate |
| IUPAC Name | ethyl 2-oxocyclohexane-1-carboxylate |
| InChI Key | FGSGHBPKHFDJOP-UHFFFAOYNA-N |
| Molecular Formula | C9H14O3 |
4-Chromanone 98.0+%, TCI America™
CAS: 491-37-2 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00006840 InChI Key: MSTDXOZUKAQDRL-UHFFFAOYSA-N Synonym: 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone PubChem CID: 68110 IUPAC Name: 2,3-dihydrochromen-4-one SMILES: C1COC2=CC=CC=C2C1=O
| PubChem CID | 68110 |
|---|---|
| CAS | 491-37-2 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00006840 |
| SMILES | C1COC2=CC=CC=C2C1=O |
| Synonym | 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone |
| IUPAC Name | 2,3-dihydrochromen-4-one |
| InChI Key | MSTDXOZUKAQDRL-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
2'-Chloro-4'-nitroacetophenone 98.0+%, TCI America™
CAS: 67818-41-1 Molecular Formula: C8H6ClNO3 Molecular Weight (g/mol): 199.59 MDL Number: MFCD00017340 InChI Key: BRFBJVQQCATLSZ-UHFFFAOYSA-N PubChem CID: 314302 IUPAC Name: 1-(2-chloro-4-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
| PubChem CID | 314302 |
|---|---|
| CAS | 67818-41-1 |
| Molecular Weight (g/mol) | 199.59 |
| MDL Number | MFCD00017340 |
| SMILES | CC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O |
| IUPAC Name | 1-(2-chloro-4-nitrophenyl)ethan-1-one |
| InChI Key | BRFBJVQQCATLSZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO3 |
L-Kynurenine Hydrate 98.0+%, TCI America™
CAS: 2922-83-0 Molecular Formula: C10H12N2O3 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00069912 InChI Key: YGPSJZOEDVAXAB-QMMMGPOBSA-N Synonym: l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid PubChem CID: 161166 ChEBI: CHEBI:16946 IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid SMILES: N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O
| PubChem CID | 161166 |
|---|---|
| CAS | 2922-83-0 |
| Molecular Weight (g/mol) | 208.22 |
| ChEBI | CHEBI:16946 |
| MDL Number | MFCD00069912 |
| SMILES | N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O |
| Synonym | l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid |
| IUPAC Name | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid |
| InChI Key | YGPSJZOEDVAXAB-QMMMGPOBSA-N |
| Molecular Formula | C10H12N2O3 |
Ricca Chemical Company Glycerin Base TS, Ricca Chemical
CAS: 7732-18-5 Synonym: dihydrogen oxide,dihydrogen monoxide
| CAS | 7732-18-5 |
|---|---|
| Synonym | dihydrogen oxide,dihydrogen monoxide |
4'-Acetamido-2'-methylacetophenone 98.0+%, TCI America™
CAS: 34956-31-5 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD02258876 InChI Key: PTARWPNYVATTDE-UHFFFAOYSA-N Synonym: n-4-acetyl-3-methylphenyl acetamide,4'-acetamido-2'-methylacetophenone,4-acetamido-2-methylacetophenone,pubchem12562,4'-acetyl-3'-methylacetoanilide,n-4-acetyl-3-methyl-phenyl-acetamide,4\\'-acetamido-2\\'-methylacetophenone,n-4-ethanoyl-3-methyl-phenyl ethanamide,acetamide, n-4-acetyl-3-methylphenyl PubChem CID: 2737381 IUPAC Name: N-(4-acetyl-3-methylphenyl)acetamide SMILES: CC(=O)NC1=CC(C)=C(C=C1)C(C)=O
| PubChem CID | 2737381 |
|---|---|
| CAS | 34956-31-5 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD02258876 |
| SMILES | CC(=O)NC1=CC(C)=C(C=C1)C(C)=O |
| Synonym | n-4-acetyl-3-methylphenyl acetamide,4'-acetamido-2'-methylacetophenone,4-acetamido-2-methylacetophenone,pubchem12562,4'-acetyl-3'-methylacetoanilide,n-4-acetyl-3-methyl-phenyl-acetamide,4\\'-acetamido-2\\'-methylacetophenone,n-4-ethanoyl-3-methyl-phenyl ethanamide,acetamide, n-4-acetyl-3-methylphenyl |
| IUPAC Name | N-(4-acetyl-3-methylphenyl)acetamide |
| InChI Key | PTARWPNYVATTDE-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO2 |