Carbonyl compounds
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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 |
3-Ethoxysalicylaldehyde 97.0+%, TCI America™
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CAS: 492-88-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00003323 InChI Key: OFQBYHLLIJGMNP-UHFFFAOYSA-N Synonym: 3-ethoxysalicylaldehyde,benzaldehyde, 3-ethoxy-2-hydroxy,novovanillin,o-ethylvanillin,salicylaldehyde, 3-ethoxy,unii-hb4h48mkni,2-hydroxy-3-ethoxybenzaldehyde,hb4h48mkni,3-ethoxy-2-hydroxy-benzaldehyde,pubchem3123 PubChem CID: 68117 IUPAC Name: 3-ethoxy-2-hydroxybenzaldehyde SMILES: CCOC1=CC=CC(=C1O)C=O
| PubChem CID | 68117 |
|---|---|
| CAS | 492-88-6 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00003323 |
| SMILES | CCOC1=CC=CC(=C1O)C=O |
| Synonym | 3-ethoxysalicylaldehyde,benzaldehyde, 3-ethoxy-2-hydroxy,novovanillin,o-ethylvanillin,salicylaldehyde, 3-ethoxy,unii-hb4h48mkni,2-hydroxy-3-ethoxybenzaldehyde,hb4h48mkni,3-ethoxy-2-hydroxy-benzaldehyde,pubchem3123 |
| IUPAC Name | 3-ethoxy-2-hydroxybenzaldehyde |
| InChI Key | OFQBYHLLIJGMNP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Methylindole-3-carboxaldehyde 98.0+%, TCI America™
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CAS: 5416-80-8 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00012077 InChI Key: CYZIVXOEJNAIBS-UHFFFAOYSA-N Synonym: 2-methylindole-3-carboxaldehyde,3-formyl-2-methylindole,2-methyl-3-formylindole,1h-indole-3-carboxaldehyde, 2-methyl,2-methylindole-3-carbaldehyde,indole-3-carboxaldehyde, 2-methyl,pubchem7437,zlchem 1339,acmc-1apkw,ksc271e8j PubChem CID: 73166 IUPAC Name: 2-methyl-1H-indole-3-carbaldehyde SMILES: CC1=C(C2=CC=CC=C2N1)C=O
| PubChem CID | 73166 |
|---|---|
| CAS | 5416-80-8 |
| Molecular Weight (g/mol) | 159.188 |
| MDL Number | MFCD00012077 |
| SMILES | CC1=C(C2=CC=CC=C2N1)C=O |
| Synonym | 2-methylindole-3-carboxaldehyde,3-formyl-2-methylindole,2-methyl-3-formylindole,1h-indole-3-carboxaldehyde, 2-methyl,2-methylindole-3-carbaldehyde,indole-3-carboxaldehyde, 2-methyl,pubchem7437,zlchem 1339,acmc-1apkw,ksc271e8j |
| IUPAC Name | 2-methyl-1H-indole-3-carbaldehyde |
| InChI Key | CYZIVXOEJNAIBS-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
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 |
3-Chloro-4-hydroxybenzaldehyde 97.0+%, TCI America™
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CAS: 2420-16-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00016981 InChI Key: VGSOCYWCRMXQAB-UHFFFAOYSA-N Synonym: benzaldehyde, 3-chloro-4-hydroxy,4-hydroxy-3-chlorobenzaldehyde,3-chloro-4-hydroxy-benzaldehyde,benzaldehyde, 3-chloro-4-hydroxy-8ci 9ci,pubchem7764,acmc-1crqk,3-chlor-4-hydroxybenzaldehyde,5-chloro-4-hyroxybenzaldehyde,5-chloro-4-hydroxybenzaldehyde,3-chloro-4-hydroxy benzaldehyde PubChem CID: 17022 IUPAC Name: 3-chloro-4-hydroxybenzaldehyde SMILES: OC1=CC=C(C=O)C=C1Cl
| PubChem CID | 17022 |
|---|---|
| CAS | 2420-16-8 |
| Molecular Weight (g/mol) | 156.57 |
| MDL Number | MFCD00016981 |
| SMILES | OC1=CC=C(C=O)C=C1Cl |
| Synonym | benzaldehyde, 3-chloro-4-hydroxy,4-hydroxy-3-chlorobenzaldehyde,3-chloro-4-hydroxy-benzaldehyde,benzaldehyde, 3-chloro-4-hydroxy-8ci 9ci,pubchem7764,acmc-1crqk,3-chlor-4-hydroxybenzaldehyde,5-chloro-4-hyroxybenzaldehyde,5-chloro-4-hydroxybenzaldehyde,3-chloro-4-hydroxy benzaldehyde |
| IUPAC Name | 3-chloro-4-hydroxybenzaldehyde |
| InChI Key | VGSOCYWCRMXQAB-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
4'-Methoxyacetophenone 99.0+%, TCI America™
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CAS: 100-06-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008745 InChI Key: NTPLXRHDUXRPNE-UHFFFAOYSA-N Synonym: 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl PubChem CID: 7476 ChEBI: CHEBI:86567 IUPAC Name: 1-(4-methoxyphenyl)ethan-1-one SMILES: COC1=CC=C(C=C1)C(C)=O
| PubChem CID | 7476 |
|---|---|
| CAS | 100-06-1 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:86567 |
| MDL Number | MFCD00008745 |
| SMILES | COC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl |
| IUPAC Name | 1-(4-methoxyphenyl)ethan-1-one |
| InChI Key | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Ethyl 3-Oxo-3-(2-thienyl)propionate 98.0+%, TCI America™
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CAS: 13669-10-8 Molecular Formula: C9H10O3S Molecular Weight (g/mol): 198.236 MDL Number: MFCD00542649 InChI Key: VKSDKUXHVLZDHO-UHFFFAOYSA-N Synonym: 3-Oxo-3-(2-thienyl)propionic Acid Ethyl Ester PubChem CID: 255159 IUPAC Name: ethyl 3-oxo-3-thiophen-2-ylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CS1
| PubChem CID | 255159 |
|---|---|
| CAS | 13669-10-8 |
| Molecular Weight (g/mol) | 198.236 |
| MDL Number | MFCD00542649 |
| SMILES | CCOC(=O)CC(=O)C1=CC=CS1 |
| Synonym | 3-Oxo-3-(2-thienyl)propionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-oxo-3-thiophen-2-ylpropanoate |
| InChI Key | VKSDKUXHVLZDHO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3S |
6-Bromo-3-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 149806-06-4 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.01 MDL Number: MFCD04115419 InChI Key: PVUKGNBRJFTFNJ-UHFFFAOYSA-N Synonym: 6-bromonicotinaldehyde,2-bromo-5-formylpyridine,2-bromopyridine-5-carbaldehyde,6-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-5-carboxaldehyde,3-pyridinecarboxaldehyde, 6-bromo,6-bromo-pyridine-3-carbaldehyde,6-bromopyridine-3-carboxaldehyde,2-bromo-5-pyridinecarbaldehyde,6-bromo-3-formylpyridine PubChem CID: 11769234 IUPAC Name: 6-bromopyridine-3-carbaldehyde SMILES: BrC1=CC=C(C=O)C=N1
| PubChem CID | 11769234 |
|---|---|
| CAS | 149806-06-4 |
| Molecular Weight (g/mol) | 186.01 |
| MDL Number | MFCD04115419 |
| SMILES | BrC1=CC=C(C=O)C=N1 |
| Synonym | 6-bromonicotinaldehyde,2-bromo-5-formylpyridine,2-bromopyridine-5-carbaldehyde,6-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-5-carboxaldehyde,3-pyridinecarboxaldehyde, 6-bromo,6-bromo-pyridine-3-carbaldehyde,6-bromopyridine-3-carboxaldehyde,2-bromo-5-pyridinecarbaldehyde,6-bromo-3-formylpyridine |
| IUPAC Name | 6-bromopyridine-3-carbaldehyde |
| InChI Key | PVUKGNBRJFTFNJ-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
2-Ethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 613-69-4 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00003316 InChI Key: DUVJMSPTZMCSTQ-UHFFFAOYSA-N Synonym: benzaldehyde, 2-ethoxy,o-ethoxybenzaldehyde,2-ethoxy benzaldehyde,benzaldehyde, o-ethoxy,2-ethoxy-benzaldehyde,benzaldehyde, ethoxy,ethoxy benzaldehyde,pubchem9726,ortho-ethoxybenzaldehyde,acmc-209ms1 PubChem CID: 11950 IUPAC Name: 2-ethoxybenzaldehyde SMILES: CCOC1=CC=CC=C1C=O
| PubChem CID | 11950 |
|---|---|
| CAS | 613-69-4 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00003316 |
| SMILES | CCOC1=CC=CC=C1C=O |
| Synonym | benzaldehyde, 2-ethoxy,o-ethoxybenzaldehyde,2-ethoxy benzaldehyde,benzaldehyde, o-ethoxy,2-ethoxy-benzaldehyde,benzaldehyde, ethoxy,ethoxy benzaldehyde,pubchem9726,ortho-ethoxybenzaldehyde,acmc-209ms1 |
| IUPAC Name | 2-ethoxybenzaldehyde |
| InChI Key | DUVJMSPTZMCSTQ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Dronedarone Hydrochloride 98.0+%, TCI America™
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CAS: 141625-93-6 Molecular Formula: C31H45ClN2O5S Molecular Weight (g/mol): 593.22 MDL Number: MFCD00914940 InChI Key: DWKVCQXJYURSIQ-UHFFFAOYSA-N Synonym: N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]methanesulfonamide Hydrochloride PubChem CID: 219025 IUPAC Name: N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrochloride SMILES: CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.Cl
| PubChem CID | 219025 |
|---|---|
| CAS | 141625-93-6 |
| Molecular Weight (g/mol) | 593.22 |
| MDL Number | MFCD00914940 |
| SMILES | CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.Cl |
| Synonym | N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]methanesulfonamide Hydrochloride |
| IUPAC Name | N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrochloride |
| InChI Key | DWKVCQXJYURSIQ-UHFFFAOYSA-N |
| Molecular Formula | C31H45ClN2O5S |
3-Acetyl-2-chloropyridine 98.0+%, TCI America™
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CAS: 55676-21-6 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.58 MDL Number: MFCD03840751 InChI Key: WIWIOUAFBHZLNQ-UHFFFAOYSA-N PubChem CID: 10942697 IUPAC Name: 1-(2-chloropyridin-3-yl)ethan-1-one SMILES: CC(=O)C1=C(Cl)N=CC=C1
| PubChem CID | 10942697 |
|---|---|
| CAS | 55676-21-6 |
| Molecular Weight (g/mol) | 155.58 |
| MDL Number | MFCD03840751 |
| SMILES | CC(=O)C1=C(Cl)N=CC=C1 |
| IUPAC Name | 1-(2-chloropyridin-3-yl)ethan-1-one |
| InChI Key | WIWIOUAFBHZLNQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO |
9-Julolidinecarboxaldehyde 98.0+%, TCI America™
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CAS: 33985-71-6 Molecular Formula: C13H15NO Molecular Weight (g/mol): 201.269 MDL Number: MFCD00151555 InChI Key: XIIVBURSIWWDEO-UHFFFAOYSA-N Synonym: 2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine-9-carboxaldehyde PubChem CID: 98700 SMILES: C1CC2=CC(=CC3=C2N(C1)CCC3)C=O
| PubChem CID | 98700 |
|---|---|
| CAS | 33985-71-6 |
| Molecular Weight (g/mol) | 201.269 |
| MDL Number | MFCD00151555 |
| SMILES | C1CC2=CC(=CC3=C2N(C1)CCC3)C=O |
| Synonym | 2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine-9-carboxaldehyde |
| InChI Key | XIIVBURSIWWDEO-UHFFFAOYSA-N |
| Molecular Formula | C13H15NO |
2'-Hydroxy-4',6'-dimethoxy-2-(4-methoxyphenyl)acetophenone 98.0+%, TCI America™
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CAS: 39604-68-7 Molecular Formula: C17H18O5 Molecular Weight (g/mol): 302.33 MDL Number: MFCD03934798 InChI Key: ROJOJPXRGHLGTC-UHFFFAOYSA-N Synonym: 2-Hydroxy-4,6-dimethoxyphenyl 4-Methoxybenzyl Ketone PubChem CID: 689039 IUPAC Name: 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethan-1-one SMILES: COC1=CC=C(CC(=O)C2=C(O)C=C(OC)C=C2OC)C=C1
| PubChem CID | 689039 |
|---|---|
| CAS | 39604-68-7 |
| Molecular Weight (g/mol) | 302.33 |
| MDL Number | MFCD03934798 |
| SMILES | COC1=CC=C(CC(=O)C2=C(O)C=C(OC)C=C2OC)C=C1 |
| Synonym | 2-Hydroxy-4,6-dimethoxyphenyl 4-Methoxybenzyl Ketone |
| IUPAC Name | 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethan-1-one |
| InChI Key | ROJOJPXRGHLGTC-UHFFFAOYSA-N |
| Molecular Formula | C17H18O5 |
1,3-Indandione 97.0+%, TCI America™
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CAS: 606-23-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.145 MDL Number: MFCD00003779 InChI Key: UHKAJLSKXBADFT-UHFFFAOYSA-N Synonym: 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g PubChem CID: 11815 ChEBI: CHEBI:78877 IUPAC Name: indene-1,3-dione SMILES: C1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 11815 |
|---|---|
| CAS | 606-23-5 |
| Molecular Weight (g/mol) | 146.145 |
| ChEBI | CHEBI:78877 |
| MDL Number | MFCD00003779 |
| SMILES | C1C(=O)C2=CC=CC=C2C1=O |
| Synonym | 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g |
| IUPAC Name | indene-1,3-dione |
| InChI Key | UHKAJLSKXBADFT-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
Bis(2,4-pentanedionato)titanium(IV) Oxide, TCI America™
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CAS: 14024-64-7 Molecular Formula: C10H16O5Ti Molecular Weight (g/mol): 264.1 MDL Number: MFCD00013505 InChI Key: ADVORQMAWLEPOI-UHFFFAOYSA-N Synonym: bis acetylacetonato titanium iv oxide,bis 4-hydroxypent-3-en-2-one ; titanium ii oxide PubChem CID: 74765597 IUPAC Name: 4-hydroxypent-3-en-2-one;oxotitanium SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.O=[Ti]
| PubChem CID | 74765597 |
|---|---|
| CAS | 14024-64-7 |
| Molecular Weight (g/mol) | 264.1 |
| MDL Number | MFCD00013505 |
| SMILES | CC(=CC(=O)C)O.CC(=CC(=O)C)O.O=[Ti] |
| Synonym | bis acetylacetonato titanium iv oxide,bis 4-hydroxypent-3-en-2-one ; titanium ii oxide |
| IUPAC Name | 4-hydroxypent-3-en-2-one;oxotitanium |
| InChI Key | ADVORQMAWLEPOI-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5Ti |