Organooxygen compounds
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Ethyl 2-oxocyclopentanecarboxylate, 97+%
CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.181 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N Synonym: ethyl 2-oxocyclopentanecarboxylate,2-carbethoxycyclopentanone,ethyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, ethyl ester,cyclopentanone-2-carboxylic acid ethyl ester,ethyl2-oxocyclopentanecarboxylate,2-ethoxycarbonyl cyclopentanone,ethyl 2-cyclopentanonecarboxylate,.alpha.-carboethoxy cyclopentanone,ethyl 2-cyclopentanone-1-carboxylate PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O
| PubChem CID | 69136 |
|---|---|
| CAS | 611-10-9 |
| Molecular Weight (g/mol) | 156.181 |
| MDL Number | MFCD00001412 |
| SMILES | CCOC(=O)C1CCCC1=O |
| Synonym | ethyl 2-oxocyclopentanecarboxylate,2-carbethoxycyclopentanone,ethyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, ethyl ester,cyclopentanone-2-carboxylic acid ethyl ester,ethyl2-oxocyclopentanecarboxylate,2-ethoxycarbonyl cyclopentanone,ethyl 2-cyclopentanonecarboxylate,.alpha.-carboethoxy cyclopentanone,ethyl 2-cyclopentanone-1-carboxylate |
| IUPAC Name | ethyl 2-oxocyclopentane-1-carboxylate |
| InChI Key | JHZPNBKZPAWCJD-UHFFFAOYSA-N |
| Molecular Formula | C8H12O3 |
Benzyl acetoacetate, 97%
CAS: 5396-89-4 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00008785 InChI Key: WOFAGNLBCJWEOE-UHFFFAOYSA-N Synonym: benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x PubChem CID: 142266 IUPAC Name: benzyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 142266 |
|---|---|
| CAS | 5396-89-4 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00008785 |
| SMILES | CC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x |
| IUPAC Name | benzyl 3-oxobutanoate |
| InChI Key | WOFAGNLBCJWEOE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
Diethyl benzylmalonate, 97%
CAS: 607-81-8 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD00009166 InChI Key: ICZLTZWATFXDLP-UHFFFAOYSA-N Synonym: diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate PubChem CID: 69090 IUPAC Name: diethyl 2-benzylpropanedioate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC
| PubChem CID | 69090 |
|---|---|
| CAS | 607-81-8 |
| Molecular Weight (g/mol) | 250.294 |
| MDL Number | MFCD00009166 |
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC |
| Synonym | diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate |
| IUPAC Name | diethyl 2-benzylpropanedioate |
| InChI Key | ICZLTZWATFXDLP-UHFFFAOYSA-N |
| Molecular Formula | C14H18O4 |
2-(1-Naphthyl)ethanol, 95%, Thermo Scientific Chemicals
CAS: 773-99-9 Molecular Formula: C12H12O Molecular Weight (g/mol): 172.227 MDL Number: MFCD00004050 InChI Key: RXWNCMHRJCOWDK-UHFFFAOYSA-N Synonym: 1-naphthaleneethanol,2-1-naphthyl ethanol,2-naphthalen-1-yl ethanol,1-2-hydroxyethyl naphthalene,naphthalen-1-ethanol,2-naphthylethanol,1-naphthyl ethanol,1-naphthalene ethanol,2-naphthalen-1-yl ethan-1-ol,1-napthaleneethanol PubChem CID: 13047 IUPAC Name: 2-naphthalen-1-ylethanol SMILES: C1=CC=C2C(=C1)C=CC=C2CCO
| PubChem CID | 13047 |
|---|---|
| CAS | 773-99-9 |
| Molecular Weight (g/mol) | 172.227 |
| MDL Number | MFCD00004050 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2CCO |
| Synonym | 1-naphthaleneethanol,2-1-naphthyl ethanol,2-naphthalen-1-yl ethanol,1-2-hydroxyethyl naphthalene,naphthalen-1-ethanol,2-naphthylethanol,1-naphthyl ethanol,1-naphthalene ethanol,2-naphthalen-1-yl ethan-1-ol,1-napthaleneethanol |
| IUPAC Name | 2-naphthalen-1-ylethanol |
| InChI Key | RXWNCMHRJCOWDK-UHFFFAOYSA-N |
| Molecular Formula | C12H12O |
(+/-)-Ethyl mandelate, 97%
CAS: 774-40-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00004494 InChI Key: SAXHIDRUJXPDOD-UHFFFAOYSA-N Synonym: ethyl mandelate,ethyl phenylglycolate,mandelic acid, ethyl ester,dl-mandelic acid ethyl ester,mandelic acid ethyl ester,ethyl dl-mandelate,mandelsaeureaethylester,ethyl hydroxy phenyl acetate,mandelsaeureaethylester german,+-ethyl mandelate PubChem CID: 13050 ChEBI: CHEBI:38750 IUPAC Name: ethyl 2-hydroxy-2-phenylacetate SMILES: CCOC(=O)C(C1=CC=CC=C1)O
| PubChem CID | 13050 |
|---|---|
| CAS | 774-40-3 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:38750 |
| MDL Number | MFCD00004494 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)O |
| Synonym | ethyl mandelate,ethyl phenylglycolate,mandelic acid, ethyl ester,dl-mandelic acid ethyl ester,mandelic acid ethyl ester,ethyl dl-mandelate,mandelsaeureaethylester,ethyl hydroxy phenyl acetate,mandelsaeureaethylester german,+-ethyl mandelate |
| IUPAC Name | ethyl 2-hydroxy-2-phenylacetate |
| InChI Key | SAXHIDRUJXPDOD-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
| CAS | 629-76-5 |
|---|
2,3',4'-Trichloroacetophenone
CAS: 42981-08-8 Molecular Formula: C8H5Cl3O Molecular Weight (g/mol): 223.48 MDL Number: MFCD03970382 InChI Key: BYTZWANJVUAPNO-UHFFFAOYSA-N Synonym: 2,3',4'-trichloroacetophenone,2-chloro-1-3,4-dichlorophenyl ethanone,3,4-dichlorophenacyl chloride,2-chloro-1-3,4-dichloro-phenyl-ethanone,2-chloro-1-3,4-dichlorophenyl ethan-1-one,2,3 ,4-trichloroacetophenone,pubchem20021,acmc-1bn8g,alpha,3',4'-trichloroacetophenone,2-chloranyl-1-3,4-dichlorophenyl ethanone PubChem CID: 316188 SMILES: ClCC(=O)C1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 316188 |
|---|---|
| CAS | 42981-08-8 |
| Molecular Weight (g/mol) | 223.48 |
| MDL Number | MFCD03970382 |
| SMILES | ClCC(=O)C1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 2,3',4'-trichloroacetophenone,2-chloro-1-3,4-dichlorophenyl ethanone,3,4-dichlorophenacyl chloride,2-chloro-1-3,4-dichloro-phenyl-ethanone,2-chloro-1-3,4-dichlorophenyl ethan-1-one,2,3 ,4-trichloroacetophenone,pubchem20021,acmc-1bn8g,alpha,3',4'-trichloroacetophenone,2-chloranyl-1-3,4-dichlorophenyl ethanone |
| InChI Key | BYTZWANJVUAPNO-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl3O |
4'-Hydroxynonanophenone, 96%
CAS: 14392-69-9 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.34 MDL Number: MFCD00020174 InChI Key: JZBXYOOARNRUME-UHFFFAOYSA-N Synonym: 1-4-hydroxyphenyl-1-nonanone,1-4-hydroxyphenyl nonan-1-one,p-hydroxynonanophenone,4'-hydroxynonanophenone,pelargonyl-4-phenol,1-nonanone,1-4-hydroxyphenyl,1-nonanone, 1-4-hydroxyphenyl PubChem CID: 167093 IUPAC Name: 1-(4-hydroxyphenyl)nonan-1-one SMILES: CCCCCCCCC(=O)C1=CC=C(O)C=C1
| PubChem CID | 167093 |
|---|---|
| CAS | 14392-69-9 |
| Molecular Weight (g/mol) | 234.34 |
| MDL Number | MFCD00020174 |
| SMILES | CCCCCCCCC(=O)C1=CC=C(O)C=C1 |
| Synonym | 1-4-hydroxyphenyl-1-nonanone,1-4-hydroxyphenyl nonan-1-one,p-hydroxynonanophenone,4'-hydroxynonanophenone,pelargonyl-4-phenol,1-nonanone,1-4-hydroxyphenyl,1-nonanone, 1-4-hydroxyphenyl |
| IUPAC Name | 1-(4-hydroxyphenyl)nonan-1-one |
| InChI Key | JZBXYOOARNRUME-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
4-Methoxybenzoylacetonitrile, 98%
CAS: 3672-47-7 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00067889 InChI Key: IKEPUFCALLUUBC-UHFFFAOYSA-N Synonym: 3-4-methoxyphenyl-3-oxopropanenitrile,4-methoxybenzoylacetonitrile,4'-methoxybenzoylacetonitrile,4-methoxybenzoyl acetonitrile,pubchem10102,4-cyanoacetyl anisole,maybridge1_004582,acmc-1agd6,p-methoxybenzoylacetonitrile,toslab 6389 PubChem CID: 233398 IUPAC Name: 3-(4-methoxyphenyl)-3-oxopropanenitrile SMILES: COC1=CC=C(C=C1)C(=O)CC#N
| PubChem CID | 233398 |
|---|---|
| CAS | 3672-47-7 |
| Molecular Weight (g/mol) | 175.187 |
| MDL Number | MFCD00067889 |
| SMILES | COC1=CC=C(C=C1)C(=O)CC#N |
| Synonym | 3-4-methoxyphenyl-3-oxopropanenitrile,4-methoxybenzoylacetonitrile,4'-methoxybenzoylacetonitrile,4-methoxybenzoyl acetonitrile,pubchem10102,4-cyanoacetyl anisole,maybridge1_004582,acmc-1agd6,p-methoxybenzoylacetonitrile,toslab 6389 |
| IUPAC Name | 3-(4-methoxyphenyl)-3-oxopropanenitrile |
| InChI Key | IKEPUFCALLUUBC-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
4'-Fluoro-2'-hydroxyacetophenone, 98%
CAS: 1481-27-2 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00143203 InChI Key: HLTBTUXAMVOKIH-UHFFFAOYSA-N Synonym: 4'-fluoro-2'-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethanone,4-fluoro-2-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethan-1-one,ethanone, 1-4-fluoro-2-hydroxyphenyl,1-4-fluoro-2-hydroxy-phenyl ethanone,1-acetyl-4-fluoro-2-hydroxybenzene,pubchem13252,acmc-1bzss,4'-fluoro-2'-hydroxy PubChem CID: 2737326 IUPAC Name: 1-(4-fluoro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=C(F)C=C1O
| PubChem CID | 2737326 |
|---|---|
| CAS | 1481-27-2 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00143203 |
| SMILES | CC(=O)C1=CC=C(F)C=C1O |
| Synonym | 4'-fluoro-2'-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethanone,4-fluoro-2-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethan-1-one,ethanone, 1-4-fluoro-2-hydroxyphenyl,1-4-fluoro-2-hydroxy-phenyl ethanone,1-acetyl-4-fluoro-2-hydroxybenzene,pubchem13252,acmc-1bzss,4'-fluoro-2'-hydroxy |
| IUPAC Name | 1-(4-fluoro-2-hydroxyphenyl)ethanone |
| InChI Key | HLTBTUXAMVOKIH-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
2'-Acetoxyacetophenone, 98%
CAS: 7250-94-4 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017223 InChI Key: WWEDAIJJBDFOOK-UHFFFAOYSA-N Synonym: 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci PubChem CID: 16716 IUPAC Name: (2-acetylphenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1C(C)=O
| PubChem CID | 16716 |
|---|---|
| CAS | 7250-94-4 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00017223 |
| SMILES | CC(=O)OC1=CC=CC=C1C(C)=O |
| Synonym | 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci |
| IUPAC Name | (2-acetylphenyl) acetate |
| InChI Key | WWEDAIJJBDFOOK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
4-Morpholinoacetophenone, 99%, Thermo Scientific Chemicals
CAS: 39910-98-0 Molecular Formula: C12H15NO2 Molecular Weight (g/mol): 205.26 MDL Number: MFCD00006168 InChI Key: AKQWEDMTPCAESO-UHFFFAOYSA-N Synonym: 4'-morpholinoacetophenone,1-4-morpholinophenyl ethanone,4-morpholinoacetophenone,acetophenone, 4'-morpholino,ethanone, 1-4-4-morpholinyl phenyl,p-morpholinoacetophenone,1-4-morpholin-4-yl phenyl ethan-1-one,p-morpholino acetophenone,4;-morpholinoacetophenone,1-4-morpholin-4-ylphenyl ethanone PubChem CID: 38362 IUPAC Name: 1-(4-morpholin-4-ylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)N2CCOCC2
| PubChem CID | 38362 |
|---|---|
| CAS | 39910-98-0 |
| Molecular Weight (g/mol) | 205.26 |
| MDL Number | MFCD00006168 |
| SMILES | CC(=O)C1=CC=C(C=C1)N2CCOCC2 |
| Synonym | 4'-morpholinoacetophenone,1-4-morpholinophenyl ethanone,4-morpholinoacetophenone,acetophenone, 4'-morpholino,ethanone, 1-4-4-morpholinyl phenyl,p-morpholinoacetophenone,1-4-morpholin-4-yl phenyl ethan-1-one,p-morpholino acetophenone,4;-morpholinoacetophenone,1-4-morpholin-4-ylphenyl ethanone |
| IUPAC Name | 1-(4-morpholin-4-ylphenyl)ethanone |
| InChI Key | AKQWEDMTPCAESO-UHFFFAOYSA-N |
| Molecular Formula | C12H15NO2 |
4-Acetylbenzonitrile, 98+%
CAS: 1443-80-7 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001825 InChI Key: NLPHXWGWBKZSJC-UHFFFAOYSA-N Synonym: 4'-cyanoacetophenone,benzonitrile, 4-acetyl,p-cyanoacetophenone,4-cyanoacetophenone,p-acetylbenzonitrile,4-acetyl-benzonitrile,benzonitrile, p-acetyl,4-acetylbenzenecarbonitrile,4-acetylbenznitrile PubChem CID: 74044 IUPAC Name: 4-acetylbenzonitrile SMILES: CC(=O)C1=CC=C(C=C1)C#N
| PubChem CID | 74044 |
|---|---|
| CAS | 1443-80-7 |
| Molecular Weight (g/mol) | 145.16 |
| MDL Number | MFCD00001825 |
| SMILES | CC(=O)C1=CC=C(C=C1)C#N |
| Synonym | 4'-cyanoacetophenone,benzonitrile, 4-acetyl,p-cyanoacetophenone,4-cyanoacetophenone,p-acetylbenzonitrile,4-acetyl-benzonitrile,benzonitrile, p-acetyl,4-acetylbenzenecarbonitrile,4-acetylbenznitrile |
| IUPAC Name | 4-acetylbenzonitrile |
| InChI Key | NLPHXWGWBKZSJC-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
Phenylglyoxal monohydrate, 97%
CAS: 1075-06-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00149499 InChI Key: NBIBDIKAOBCFJN-UHFFFAOYSA-N Synonym: dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone PubChem CID: 99611 IUPAC Name: 2,2-dihydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(O)O
| PubChem CID | 99611 |
|---|---|
| CAS | 1075-06-5 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00149499 |
| SMILES | C1=CC=C(C=C1)C(=O)C(O)O |
| Synonym | dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone |
| IUPAC Name | 2,2-dihydroxy-1-phenylethanone |
| InChI Key | NBIBDIKAOBCFJN-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
3',5'-Dibromo-2'-hydroxyacetophenone, 99%
CAS: 22362-66-9 Molecular Formula: C8H6Br2O2 Molecular Weight (g/mol): 293.942 MDL Number: MFCD00191992 InChI Key: RCKHUOIKVIOMGZ-UHFFFAOYSA-N Synonym: 3',5'-dibromo-2'-hydroxyacetophenone,1-3,5-dibromo-2-hydroxyphenyl ethanone,1-3,5-dibromo-2-hydroxyphenyl ethan-1-one,3´,5´-dibromo-2´-hydroxyacetophenone,1-acetyl-3,5-dibromo-2-hydroxybenzene,acmc-1cp7q,2-acetyl-4,6-dibromophenol,dibromooxochromenecarboxylicacid,3/',5/'-dibromo-2/'-hydroxyacetophenone,ethanone,1-3,5-dibromo-2-hydroxyphenyl PubChem CID: 271762 IUPAC Name: 1-(3,5-dibromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1O)Br)Br
| PubChem CID | 271762 |
|---|---|
| CAS | 22362-66-9 |
| Molecular Weight (g/mol) | 293.942 |
| MDL Number | MFCD00191992 |
| SMILES | CC(=O)C1=CC(=CC(=C1O)Br)Br |
| Synonym | 3',5'-dibromo-2'-hydroxyacetophenone,1-3,5-dibromo-2-hydroxyphenyl ethanone,1-3,5-dibromo-2-hydroxyphenyl ethan-1-one,3´,5´-dibromo-2´-hydroxyacetophenone,1-acetyl-3,5-dibromo-2-hydroxybenzene,acmc-1cp7q,2-acetyl-4,6-dibromophenol,dibromooxochromenecarboxylicacid,3/',5/'-dibromo-2/'-hydroxyacetophenone,ethanone,1-3,5-dibromo-2-hydroxyphenyl |
| IUPAC Name | 1-(3,5-dibromo-2-hydroxyphenyl)ethanone |
| InChI Key | RCKHUOIKVIOMGZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O2 |