Carbonyl compounds
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Mono-tert-butyl Malonate 97.0+%, TCI America™
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CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00191886 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O
| PubChem CID | 545853 |
|---|---|
| CAS | 40052-13-9 |
| Molecular Weight (g/mol) | 160.169 |
| MDL Number | MFCD00191886 |
| SMILES | CC(C)(C)OC(=O)CC(=O)O |
| Synonym | 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid |
| InChI Key | NGGGZUAEOKRHMA-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4 |
Ethyl (4-Methoxybenzoyl)acetate 97.0+%, TCI America™
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CAS: 2881-83-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00449636 InChI Key: KRAHENMBSVAAHD-UHFFFAOYSA-N Synonym: p-Anisoylacetic Acid Ethyl Ester, Ethyl p-Anisoylacetate, (4-Methoxybenzoyl)acetic Acid Ethyl Ester, Ethyl 3-(4-Methoxyphenyl)-3-oxopropionate, 3-(4-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester PubChem CID: 76150 IUPAC Name: ethyl 3-(4-methoxyphenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)OC
| PubChem CID | 76150 |
|---|---|
| CAS | 2881-83-6 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00449636 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)OC |
| Synonym | p-Anisoylacetic Acid Ethyl Ester, Ethyl p-Anisoylacetate, (4-Methoxybenzoyl)acetic Acid Ethyl Ester, Ethyl 3-(4-Methoxyphenyl)-3-oxopropionate, 3-(4-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-(4-methoxyphenyl)-3-oxopropanoate |
| InChI Key | KRAHENMBSVAAHD-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
1-Chloropinacolin 97.0+%, TCI America™
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CAS: 13547-70-1 Molecular Formula: C6H11ClO Molecular Weight (g/mol): 134.603 MDL Number: MFCD00035688 InChI Key: ULSAJQMHTGKPIY-UHFFFAOYSA-N Synonym: 1-chloropinacolone,1-chloro-3,3-dimethyl-2-butanone,chlorpinakolin,2-butanone, 1-chloro-3,3-dimethyl,1-monochloropinacoline,tert-butyl chloromethyl ketone,alpha-chloropinacolin,alpha-chloropinacoline,chloromethyl tert-butyl ketone,chloropinacoline PubChem CID: 83572 IUPAC Name: 1-chloro-3,3-dimethylbutan-2-one SMILES: CC(C)(C)C(=O)CCl
| PubChem CID | 83572 |
|---|---|
| CAS | 13547-70-1 |
| Molecular Weight (g/mol) | 134.603 |
| MDL Number | MFCD00035688 |
| SMILES | CC(C)(C)C(=O)CCl |
| Synonym | 1-chloropinacolone,1-chloro-3,3-dimethyl-2-butanone,chlorpinakolin,2-butanone, 1-chloro-3,3-dimethyl,1-monochloropinacoline,tert-butyl chloromethyl ketone,alpha-chloropinacolin,alpha-chloropinacoline,chloromethyl tert-butyl ketone,chloropinacoline |
| IUPAC Name | 1-chloro-3,3-dimethylbutan-2-one |
| InChI Key | ULSAJQMHTGKPIY-UHFFFAOYSA-N |
| Molecular Formula | C6H11ClO |
Methyl 4-Chloroacetoacetate 96.0+%, TCI America™
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CAS: 32807-28-6 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000938 InChI Key: HFLMYYLFSNEOOT-UHFFFAOYSA-N Synonym: methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 PubChem CID: 36240 IUPAC Name: methyl 4-chloro-3-oxobutanoate SMILES: COC(=O)CC(=O)CCl
| PubChem CID | 36240 |
|---|---|
| CAS | 32807-28-6 |
| Molecular Weight (g/mol) | 150.56 |
| MDL Number | MFCD00000938 |
| SMILES | COC(=O)CC(=O)CCl |
| Synonym | methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 |
| IUPAC Name | methyl 4-chloro-3-oxobutanoate |
| InChI Key | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
Salicylaldehyde 98.0+%, TCI America™
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CAS: 90-02-8 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00003317 InChI Key: SMQUZDBALVYZAC-UHFFFAOYSA-N Synonym: salicylaldehyde,o-hydroxybenzaldehyde,o-formylphenol,salicylal,2-formylphenol,benzaldehyde, 2-hydroxy,salicylic aldehyde,salicyladehyde,2-hydroxy-benzaldehyde,benzaldehyde, o-hydroxy PubChem CID: 6998 ChEBI: CHEBI:16008 IUPAC Name: 2-hydroxybenzaldehyde SMILES: OC1=CC=CC=C1C=O
| PubChem CID | 6998 |
|---|---|
| CAS | 90-02-8 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:16008 |
| MDL Number | MFCD00003317 |
| SMILES | OC1=CC=CC=C1C=O |
| Synonym | salicylaldehyde,o-hydroxybenzaldehyde,o-formylphenol,salicylal,2-formylphenol,benzaldehyde, 2-hydroxy,salicylic aldehyde,salicyladehyde,2-hydroxy-benzaldehyde,benzaldehyde, o-hydroxy |
| IUPAC Name | 2-hydroxybenzaldehyde |
| InChI Key | SMQUZDBALVYZAC-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
5-Allyl-3-methoxysalicylaldehyde 98.0+%, TCI America™
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CAS: 22934-51-6 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD06408022 InChI Key: FDHXEIOBIOVBEN-UHFFFAOYSA-N Synonym: 5-allyl-2-hydroxy-3-methoxybenzaldehyde,5-allyl-3-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-3-methoxy-5-2-propenyl,benzaldehyde,2-hydroxy-3-methoxy-5-2-propen-1-yl,2-hydroxy-3-methoxy-5-prop-2-en-1-yl benzaldehyde,formyl eugenol,acmc-209fzq,2-hydroxy-3-methoxy-5-2-propenyl benzaldehyde,3-methoxy-2-oxidanyl-5-prop-2-enyl-benzaldehyde PubChem CID: 1713887 IUPAC Name: 2-hydroxy-3-methoxy-5-prop-2-enylbenzaldehyde SMILES: COC1=C(C(=CC(=C1)CC=C)C=O)O
| PubChem CID | 1713887 |
|---|---|
| CAS | 22934-51-6 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD06408022 |
| SMILES | COC1=C(C(=CC(=C1)CC=C)C=O)O |
| Synonym | 5-allyl-2-hydroxy-3-methoxybenzaldehyde,5-allyl-3-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-3-methoxy-5-2-propenyl,benzaldehyde,2-hydroxy-3-methoxy-5-2-propen-1-yl,2-hydroxy-3-methoxy-5-prop-2-en-1-yl benzaldehyde,formyl eugenol,acmc-209fzq,2-hydroxy-3-methoxy-5-2-propenyl benzaldehyde,3-methoxy-2-oxidanyl-5-prop-2-enyl-benzaldehyde |
| IUPAC Name | 2-hydroxy-3-methoxy-5-prop-2-enylbenzaldehyde |
| InChI Key | FDHXEIOBIOVBEN-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
4'-Acetoxyacetophenone 98.0+%, TCI America™
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CAS: 13031-43-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017229 InChI Key: SMIOEQSLJNNKQF-UHFFFAOYSA-N Synonym: 4'-acetoxyacetophenone,p-acetoxyacetophenone,4-acetoxyacetophenone,p-acetylphenyl acetate,4-acetylphenyl acetate,unii-eo1xk390jf,ethanone, 1-4-acetyloxy phenyl,4-acetoxy acetophenone,4-acetoxy-acetophenone,eo1xk390jf PubChem CID: 83063 ChEBI: CHEBI:86558 IUPAC Name: 4-acetylphenyl acetate SMILES: CC(=O)OC1=CC=C(C=C1)C(C)=O
| PubChem CID | 83063 |
|---|---|
| CAS | 13031-43-1 |
| Molecular Weight (g/mol) | 178.19 |
| ChEBI | CHEBI:86558 |
| MDL Number | MFCD00017229 |
| SMILES | CC(=O)OC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-acetoxyacetophenone,p-acetoxyacetophenone,4-acetoxyacetophenone,p-acetylphenyl acetate,4-acetylphenyl acetate,unii-eo1xk390jf,ethanone, 1-4-acetyloxy phenyl,4-acetoxy acetophenone,4-acetoxy-acetophenone,eo1xk390jf |
| IUPAC Name | 4-acetylphenyl acetate |
| InChI Key | SMIOEQSLJNNKQF-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
Phenacyl Bromide 98.0+%, TCI America™
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CAS: 70-11-1 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD00000195 InChI Key: LIGACIXOYTUXAW-UHFFFAOYSA-N Synonym: 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo PubChem CID: 6259 ChEBI: CHEBI:51846 IUPAC Name: 2-bromo-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CBr
| PubChem CID | 6259 |
|---|---|
| CAS | 70-11-1 |
| Molecular Weight (g/mol) | 199.047 |
| ChEBI | CHEBI:51846 |
| MDL Number | MFCD00000195 |
| SMILES | C1=CC=C(C=C1)C(=O)CBr |
| Synonym | 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo |
| IUPAC Name | 2-bromo-1-phenylethanone |
| InChI Key | LIGACIXOYTUXAW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
2-Oxo-4-phenylbutyric Acid 98.0+%, TCI America™
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CAS: 710-11-2 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00969471 InChI Key: PPKAIMDMNWBOKN-UHFFFAOYSA-N PubChem CID: 69732 IUPAC Name: 2-oxo-4-phenylbutanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)C(=O)O
| PubChem CID | 69732 |
|---|---|
| CAS | 710-11-2 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00969471 |
| SMILES | C1=CC=C(C=C1)CCC(=O)C(=O)O |
| IUPAC Name | 2-oxo-4-phenylbutanoic acid |
| InChI Key | PPKAIMDMNWBOKN-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
3,5-Diiodosalicylaldehyde 98.0+%, TCI America™
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CAS: 2631-77-8 Molecular Formula: C7H4I2O2 Molecular Weight (g/mol): 373.916 MDL Number: MFCD00003321 InChI Key: MYWSBJKVOUZCIA-UHFFFAOYSA-N Synonym: 3,5-diiodosalicylaldehyde,benzaldehyde, 2-hydroxy-3,5-diiodo,3,5-diiodo-2-hydroxybenzaldehyde,2-hydroxy-3,5-diiodo-benzaldehyde,acmc-20ancp,3,5-diodosolicylaldehyde,2,4-diiodo-6-formylphenol,#,benzaldehyde,2-hydroxy-3,5-diiodo PubChem CID: 75829 IUPAC Name: 2-hydroxy-3,5-diiodobenzaldehyde SMILES: C1=C(C=C(C(=C1I)O)C=O)I
| PubChem CID | 75829 |
|---|---|
| CAS | 2631-77-8 |
| Molecular Weight (g/mol) | 373.916 |
| MDL Number | MFCD00003321 |
| SMILES | C1=C(C=C(C(=C1I)O)C=O)I |
| Synonym | 3,5-diiodosalicylaldehyde,benzaldehyde, 2-hydroxy-3,5-diiodo,3,5-diiodo-2-hydroxybenzaldehyde,2-hydroxy-3,5-diiodo-benzaldehyde,acmc-20ancp,3,5-diodosolicylaldehyde,2,4-diiodo-6-formylphenol,#,benzaldehyde,2-hydroxy-3,5-diiodo |
| IUPAC Name | 2-hydroxy-3,5-diiodobenzaldehyde |
| InChI Key | MYWSBJKVOUZCIA-UHFFFAOYSA-N |
| Molecular Formula | C7H4I2O2 |
3-Chlorosalicylaldehyde 98.0+%, TCI America™
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CAS: 1927-94-2 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD04973581 InChI Key: DOHOPUBZLWVZMZ-UHFFFAOYSA-N Synonym: 3-Chloro-2-hydroxybenzaldehyde PubChem CID: 519651 IUPAC Name: 3-chloro-2-hydroxybenzaldehyde SMILES: C1=CC(=C(C(=C1)Cl)O)C=O
| PubChem CID | 519651 |
|---|---|
| CAS | 1927-94-2 |
| Molecular Weight (g/mol) | 156.565 |
| MDL Number | MFCD04973581 |
| SMILES | C1=CC(=C(C(=C1)Cl)O)C=O |
| Synonym | 3-Chloro-2-hydroxybenzaldehyde |
| IUPAC Name | 3-chloro-2-hydroxybenzaldehyde |
| InChI Key | DOHOPUBZLWVZMZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
4-Nitrobenzyl Acetoacetate 98.0+%, TCI America™
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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 |
Dimethyl Cyclopentylmalonate 97.0+%, TCI America™
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CAS: 82491-60-9 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 MDL Number: MFCD03844781 InChI Key: KCCNEJJMJHDVCN-UHFFFAOYSA-N Synonym: Cyclopentylmalonic Acid Dimethyl Ester PubChem CID: 14831157 IUPAC Name: dimethyl 2-cyclopentylpropanedioate SMILES: COC(=O)C(C1CCCC1)C(=O)OC
| PubChem CID | 14831157 |
|---|---|
| CAS | 82491-60-9 |
| Molecular Weight (g/mol) | 200.234 |
| MDL Number | MFCD03844781 |
| SMILES | COC(=O)C(C1CCCC1)C(=O)OC |
| Synonym | Cyclopentylmalonic Acid Dimethyl Ester |
| IUPAC Name | dimethyl 2-cyclopentylpropanedioate |
| InChI Key | KCCNEJJMJHDVCN-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
2',5'-Dimethoxyacetophenone 98.0+%, TCI America™
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CAS: 1201-38-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00008728 InChI Key: FAXUIYJKGGUCBO-UHFFFAOYSA-N Synonym: 2',5'-dimethoxyacetophenone,1-2,5-dimethoxyphenyl ethanone,2,5-dimethoxyacetophenone,1-2,5-dimethoxyphenyl ethan-1-one,ethanone, 1-2,5-dimethoxyphenyl,1-2,5-dimethoxyphenyl-ethanone,2-acetyl-1,4-dimethoxybenzene,acetophenone, 2',5'-dimethoxy,1-acetyl-2,5-dimethoxybenzene,pubchem13430 PubChem CID: 70991 IUPAC Name: 1-(2,5-dimethoxyphenyl)ethan-1-one SMILES: COC1=CC=C(OC)C(=C1)C(C)=O
| PubChem CID | 70991 |
|---|---|
| CAS | 1201-38-3 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00008728 |
| SMILES | COC1=CC=C(OC)C(=C1)C(C)=O |
| Synonym | 2',5'-dimethoxyacetophenone,1-2,5-dimethoxyphenyl ethanone,2,5-dimethoxyacetophenone,1-2,5-dimethoxyphenyl ethan-1-one,ethanone, 1-2,5-dimethoxyphenyl,1-2,5-dimethoxyphenyl-ethanone,2-acetyl-1,4-dimethoxybenzene,acetophenone, 2',5'-dimethoxy,1-acetyl-2,5-dimethoxybenzene,pubchem13430 |
| IUPAC Name | 1-(2,5-dimethoxyphenyl)ethan-1-one |
| InChI Key | FAXUIYJKGGUCBO-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
4'-Diethylaminoacetophenone 98.0+%, TCI America™
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CAS: 5520-66-1 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.27 MDL Number: MFCD00043651 InChI Key: HMIBQFXWSUBFTG-UHFFFAOYSA-N Synonym: 4'-diethylaminoacetophenone,p-diethylaminoacetophenone,4-diethylaminoacetophenone,1-4-diethylamino phenyl ethanone,ethanone, 1-4-diethylamino phenyl,1-acetyl-4-diethylamino benzene,acmc-1aspz,4-acetyl-n,n-diethylaniline PubChem CID: 138529 IUPAC Name: 1-[4-(diethylamino)phenyl]ethan-1-one SMILES: CCN(CC)C1=CC=C(C=C1)C(C)=O
| PubChem CID | 138529 |
|---|---|
| CAS | 5520-66-1 |
| Molecular Weight (g/mol) | 191.27 |
| MDL Number | MFCD00043651 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-diethylaminoacetophenone,p-diethylaminoacetophenone,4-diethylaminoacetophenone,1-4-diethylamino phenyl ethanone,ethanone, 1-4-diethylamino phenyl,1-acetyl-4-diethylamino benzene,acmc-1aspz,4-acetyl-n,n-diethylaniline |
| IUPAC Name | 1-[4-(diethylamino)phenyl]ethan-1-one |
| InChI Key | HMIBQFXWSUBFTG-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |