Carbonyl compounds
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2-Pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 1121-60-4 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.112 MDL Number: MFCD00006290 InChI Key: CSDSSGBPEUDDEE-UHFFFAOYSA-N Synonym: 2-pyridinecarboxaldehyde,picolinaldehyde,pyridine-2-carboxaldehyde,2-formylpyridine,pyridine-2-aldehyde,picolinal,2-picolinaldehyde,2-pyridaldehyde,picolinic aldehyde,2-pyridylaldehyde PubChem CID: 14273 ChEBI: CHEBI:73012 IUPAC Name: pyridine-2-carbaldehyde SMILES: C1=CC=NC(=C1)C=O
| PubChem CID | 14273 |
|---|---|
| CAS | 1121-60-4 |
| Molecular Weight (g/mol) | 107.112 |
| ChEBI | CHEBI:73012 |
| MDL Number | MFCD00006290 |
| SMILES | C1=CC=NC(=C1)C=O |
| Synonym | 2-pyridinecarboxaldehyde,picolinaldehyde,pyridine-2-carboxaldehyde,2-formylpyridine,pyridine-2-aldehyde,picolinal,2-picolinaldehyde,2-pyridaldehyde,picolinic aldehyde,2-pyridylaldehyde |
| IUPAC Name | pyridine-2-carbaldehyde |
| InChI Key | CSDSSGBPEUDDEE-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO |
trans-2-Methyl-2-butenal 95.0+%, TCI America™
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CAS: 497-03-0 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00006977 InChI Key: ACWQBUSCFPJUPN-HWKANZROSA-N Synonym: tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e PubChem CID: 5321950 IUPAC Name: (E)-2-methylbut-2-enal SMILES: CC=C(C)C=O
| PubChem CID | 5321950 |
|---|---|
| CAS | 497-03-0 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00006977 |
| SMILES | CC=C(C)C=O |
| Synonym | tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e |
| IUPAC Name | (E)-2-methylbut-2-enal |
| InChI Key | ACWQBUSCFPJUPN-HWKANZROSA-N |
| Molecular Formula | C5H8O |
2-Methyl-4-phenyl-3-butyn-2-ol 98.0+%, TCI America™
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CAS: 1719-19-3 Molecular Formula: C11H12O Molecular Weight (g/mol): 160.22 MDL Number: MFCD00041572 InChI Key: FUPXYICBZMASCM-UHFFFAOYSA-N Synonym: 2-Hydroxy-2-methyl-4-phenyl-3-butyne PubChem CID: 288327 IUPAC Name: 2-methyl-4-phenylbut-3-yn-2-ol SMILES: CC(C)(O)C#CC1=CC=CC=C1
| PubChem CID | 288327 |
|---|---|
| CAS | 1719-19-3 |
| Molecular Weight (g/mol) | 160.22 |
| MDL Number | MFCD00041572 |
| SMILES | CC(C)(O)C#CC1=CC=CC=C1 |
| Synonym | 2-Hydroxy-2-methyl-4-phenyl-3-butyne |
| IUPAC Name | 2-methyl-4-phenylbut-3-yn-2-ol |
| InChI Key | FUPXYICBZMASCM-UHFFFAOYSA-N |
| Molecular Formula | C11H12O |
2'-(Trifluoromethyl)acetophenone 98.0+%, TCI America™
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CAS: 17408-14-9 Molecular Formula: C9H7F3O Molecular Weight (g/mol): 188.149 MDL Number: MFCD00000378 InChI Key: FYDUUODXZQITBF-UHFFFAOYSA-N Synonym: 2'-trifluoromethyl acetophenone,1-2-trifluoromethyl phenyl ethanone,o-trifluoromethylacetophenone,1-2-trifluoromethyl phenyl ethan-1-one,2'-trifluoromethylacetophenone,ethanone, 1-2-trifluoromethyl phenyl,o-trifluoromethyl benzoyl,2-trifluoromethylacetophenone,1-acetyl-2-trifluoromethyl benzene PubChem CID: 87095 IUPAC Name: 1-[2-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC=CC=C1C(F)(F)F
| PubChem CID | 87095 |
|---|---|
| CAS | 17408-14-9 |
| Molecular Weight (g/mol) | 188.149 |
| MDL Number | MFCD00000378 |
| SMILES | CC(=O)C1=CC=CC=C1C(F)(F)F |
| Synonym | 2'-trifluoromethyl acetophenone,1-2-trifluoromethyl phenyl ethanone,o-trifluoromethylacetophenone,1-2-trifluoromethyl phenyl ethan-1-one,2'-trifluoromethylacetophenone,ethanone, 1-2-trifluoromethyl phenyl,o-trifluoromethyl benzoyl,2-trifluoromethylacetophenone,1-acetyl-2-trifluoromethyl benzene |
| IUPAC Name | 1-[2-(trifluoromethyl)phenyl]ethanone |
| InChI Key | FYDUUODXZQITBF-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O |
(-)-Trichostatin A 98.0+%, TCI America™
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CAS: 122292-85-7 Molecular Formula: C17H22N2O3 Molecular Weight (g/mol): 302.374 InChI Key: RTKIYFITIVXBLE-LEJRBOCMSA-N Synonym: [S-(E,E)]-(-)-7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide PubChem CID: 13507024 IUPAC Name: (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide SMILES: CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C
| PubChem CID | 13507024 |
|---|---|
| CAS | 122292-85-7 |
| Molecular Weight (g/mol) | 302.374 |
| SMILES | CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C |
| Synonym | [S-(E,E)]-(-)-7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide |
| IUPAC Name | (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide |
| InChI Key | RTKIYFITIVXBLE-LEJRBOCMSA-N |
| Molecular Formula | C17H22N2O3 |
3-(4-Fluorobenzoyl)propionic Acid 97.0+%, TCI America™
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CAS: 366-77-8 Molecular Formula: C10H9FO3 Molecular Weight (g/mol): 196.177 MDL Number: MFCD00002793 InChI Key: WUYWHIAAQYQKPP-UHFFFAOYSA-N Synonym: 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid PubChem CID: 101359 IUPAC Name: 4-(4-fluorophenyl)-4-oxobutanoic acid SMILES: C1=CC(=CC=C1C(=O)CCC(=O)O)F
| PubChem CID | 101359 |
|---|---|
| CAS | 366-77-8 |
| Molecular Weight (g/mol) | 196.177 |
| MDL Number | MFCD00002793 |
| SMILES | C1=CC(=CC=C1C(=O)CCC(=O)O)F |
| Synonym | 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid |
| IUPAC Name | 4-(4-fluorophenyl)-4-oxobutanoic acid |
| InChI Key | WUYWHIAAQYQKPP-UHFFFAOYSA-N |
| Molecular Formula | C10H9FO3 |
Diethyl Benzoylmalonate 97.0+%, TCI America™
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CAS: 1087-97-4 Molecular Formula: C14H16O5 Molecular Weight (g/mol): 264.277 MDL Number: MFCD00059381 InChI Key: RIQBATDJIKIMBM-UHFFFAOYSA-N Synonym: Benzoylmalonic Acid Diethyl Ester PubChem CID: 569310 IUPAC Name: diethyl 2-benzoylpropanedioate SMILES: CCOC(=O)C(C(=O)C1=CC=CC=C1)C(=O)OCC
| PubChem CID | 569310 |
|---|---|
| CAS | 1087-97-4 |
| Molecular Weight (g/mol) | 264.277 |
| MDL Number | MFCD00059381 |
| SMILES | CCOC(=O)C(C(=O)C1=CC=CC=C1)C(=O)OCC |
| Synonym | Benzoylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-benzoylpropanedioate |
| InChI Key | RIQBATDJIKIMBM-UHFFFAOYSA-N |
| Molecular Formula | C14H16O5 |
3-(Cyanoacetyl)indole 98.0+%, TCI America™
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CAS: 20356-45-0 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.198 MDL Number: MFCD04610443 InChI Key: KSKBLDDGNWKWKN-UHFFFAOYSA-N PubChem CID: 2453568 IUPAC Name: 3-(1H-indol-3-yl)-3-oxopropanenitrile SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)CC#N
| PubChem CID | 2453568 |
|---|---|
| CAS | 20356-45-0 |
| Molecular Weight (g/mol) | 184.198 |
| MDL Number | MFCD04610443 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(=O)CC#N |
| IUPAC Name | 3-(1H-indol-3-yl)-3-oxopropanenitrile |
| InChI Key | KSKBLDDGNWKWKN-UHFFFAOYSA-N |
| Molecular Formula | C11H8N2O |
Ethyl 2-Acetyl-3-ethoxyacrylate 98.0+%, TCI America™
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CAS: 3788-94-1 Molecular Formula: C9H14O4 Molecular Weight (g/mol): 186.207 MDL Number: MFCD06797311 InChI Key: FNASCUBBFNCFQO-VURMDHGXSA-N Synonym: 2-Acetyl-3-ethoxyacrylic Acid Ethyl Ester PubChem CID: 5355337 IUPAC Name: ethyl (2Z)-2-(ethoxymethylidene)-3-oxobutanoate SMILES: CCOC=C(C(=O)C)C(=O)OCC
| PubChem CID | 5355337 |
|---|---|
| CAS | 3788-94-1 |
| Molecular Weight (g/mol) | 186.207 |
| MDL Number | MFCD06797311 |
| SMILES | CCOC=C(C(=O)C)C(=O)OCC |
| Synonym | 2-Acetyl-3-ethoxyacrylic Acid Ethyl Ester |
| IUPAC Name | ethyl (2Z)-2-(ethoxymethylidene)-3-oxobutanoate |
| InChI Key | FNASCUBBFNCFQO-VURMDHGXSA-N |
| Molecular Formula | C9H14O4 |
6-Chloroisatin 98.0+%, TCI America™
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CAS: 6341-92-0 Molecular Formula: C8H4ClNO2 Molecular Weight (g/mol): 181.575 InChI Key: RVXLBLSGEPQBIO-UHFFFAOYSA-N Synonym: 6-Chloroindole-2,3-dione, 6-Chloro-2,3-indolinedione PubChem CID: 241331 IUPAC Name: 6-chloro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1Cl)NC(=O)C2=O
| PubChem CID | 241331 |
|---|---|
| CAS | 6341-92-0 |
| Molecular Weight (g/mol) | 181.575 |
| SMILES | C1=CC2=C(C=C1Cl)NC(=O)C2=O |
| Synonym | 6-Chloroindole-2,3-dione, 6-Chloro-2,3-indolinedione |
| IUPAC Name | 6-chloro-1H-indole-2,3-dione |
| InChI Key | RVXLBLSGEPQBIO-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClNO2 |
2-Deoxy-2-fluoro-D-glucopyranose 98.0+%, TCI America™
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CAS: 29702-43-0 Molecular Formula: C6H11FO5 Molecular Weight (g/mol): 182.147 MDL Number: MFCD00077527 InChI Key: AOYNUTHNTBLRMT-SLPGGIOYSA-N Synonym: 2-Deoxy-2-fluoro-D-glucose PubChem CID: 170049 ChEBI: CHEBI:49135 IUPAC Name: (2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal SMILES: C(C(C(C(C(C=O)F)O)O)O)O
| PubChem CID | 170049 |
|---|---|
| CAS | 29702-43-0 |
| Molecular Weight (g/mol) | 182.147 |
| ChEBI | CHEBI:49135 |
| MDL Number | MFCD00077527 |
| SMILES | C(C(C(C(C(C=O)F)O)O)O)O |
| Synonym | 2-Deoxy-2-fluoro-D-glucose |
| IUPAC Name | (2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal |
| InChI Key | AOYNUTHNTBLRMT-SLPGGIOYSA-N |
| Molecular Formula | C6H11FO5 |
5-Acetylsalicylic Acid 98.0+%, TCI America™
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CAS: 13110-96-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00013978 InChI Key: NZRDKNBIPVLNHA-UHFFFAOYSA-N Synonym: 5-acetylsalicylic acid,3-acetyl-6-hydroxybenzoic acid,5-acetyl-2-hydroxy-benzoic acid,benzoic acid, 5-acetyl-2-hydroxy,5-acetyl salicylic acid,acmc-1boxk,5-acetylsalicylicacid,5-acetyl-2-hydroxybenzoic acid,benzoic acid,5-acetyl-2-hydroxy PubChem CID: 83151 IUPAC Name: 5-acetyl-2-hydroxybenzoic acid SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)O
| PubChem CID | 83151 |
|---|---|
| CAS | 13110-96-8 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00013978 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)C(=O)O |
| Synonym | 5-acetylsalicylic acid,3-acetyl-6-hydroxybenzoic acid,5-acetyl-2-hydroxy-benzoic acid,benzoic acid, 5-acetyl-2-hydroxy,5-acetyl salicylic acid,acmc-1boxk,5-acetylsalicylicacid,5-acetyl-2-hydroxybenzoic acid,benzoic acid,5-acetyl-2-hydroxy |
| IUPAC Name | 5-acetyl-2-hydroxybenzoic acid |
| InChI Key | NZRDKNBIPVLNHA-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
8-Quinolinecarboxaldehyde 95.0+%, TCI America™
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CAS: 38707-70-9 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD00805837 InChI Key: OVZQVGZERAFSPI-UHFFFAOYSA-N Synonym: 8-quinolinecarboxaldehyde,8-quinolinecarbaldehyde,quinoline-8-carboxaldehyde,8-quinoline carbaldehyde,8-formylquinoline,ccris 6968,timtec-bb sbb010129,8-quinolinecarboaldehyde,acmc-209j1k,ksc224g8j PubChem CID: 170103 IUPAC Name: quinoline-8-carbaldehyde SMILES: C1=CC2=C(C(=C1)C=O)N=CC=C2
| PubChem CID | 170103 |
|---|---|
| CAS | 38707-70-9 |
| Molecular Weight (g/mol) | 157.172 |
| MDL Number | MFCD00805837 |
| SMILES | C1=CC2=C(C(=C1)C=O)N=CC=C2 |
| Synonym | 8-quinolinecarboxaldehyde,8-quinolinecarbaldehyde,quinoline-8-carboxaldehyde,8-quinoline carbaldehyde,8-formylquinoline,ccris 6968,timtec-bb sbb010129,8-quinolinecarboaldehyde,acmc-209j1k,ksc224g8j |
| IUPAC Name | quinoline-8-carbaldehyde |
| InChI Key | OVZQVGZERAFSPI-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
2'-Chloro-5'-(trifluoromethyl)acetophenone 97.0+%, TCI America™
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CAS: 71648-45-8 Molecular Formula: C9H6ClF3O Molecular Weight (g/mol): 222.591 MDL Number: MFCD00045092 InChI Key: YRGBMTWHOFQSDJ-UHFFFAOYSA-N Synonym: 2'-chloro-5'-trifluoromethyl acetophenone,1-2-chloro-5-trifluoromethyl phenyl ethanone,1-2-chloro-5-trifluoromethyl phenyl ethan-1-one,2-chloro-5-trifluoromethyl acetophenone,acetophenone, 2-chloro-5-trifluoromethyl,3-acetyl-4-chlorobenzotrifluoride,ethanone, 1-2-chloro-5-trifluoromethyl phenyl,1-acetyl-2-chloro-5-trifluoromethyl benzene,pubchem4210 PubChem CID: 144502 IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=C(C=CC(=C1)C(F)(F)F)Cl
| PubChem CID | 144502 |
|---|---|
| CAS | 71648-45-8 |
| Molecular Weight (g/mol) | 222.591 |
| MDL Number | MFCD00045092 |
| SMILES | CC(=O)C1=C(C=CC(=C1)C(F)(F)F)Cl |
| Synonym | 2'-chloro-5'-trifluoromethyl acetophenone,1-2-chloro-5-trifluoromethyl phenyl ethanone,1-2-chloro-5-trifluoromethyl phenyl ethan-1-one,2-chloro-5-trifluoromethyl acetophenone,acetophenone, 2-chloro-5-trifluoromethyl,3-acetyl-4-chlorobenzotrifluoride,ethanone, 1-2-chloro-5-trifluoromethyl phenyl,1-acetyl-2-chloro-5-trifluoromethyl benzene,pubchem4210 |
| IUPAC Name | 1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone |
| InChI Key | YRGBMTWHOFQSDJ-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClF3O |
4'-Hydroxyheptanophenone 98.0+%, TCI America™
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CAS: 14392-72-4 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00191523 InChI Key: MAZPQHJYGKZQEA-UHFFFAOYSA-N Synonym: Hexyl 4-Hydroxyphenyl Ketone PubChem CID: 578426 IUPAC Name: 1-(4-hydroxyphenyl)heptan-1-one SMILES: CCCCCCC(=O)C1=CC=C(O)C=C1
| PubChem CID | 578426 |
|---|---|
| CAS | 14392-72-4 |
| Molecular Weight (g/mol) | 206.29 |
| MDL Number | MFCD00191523 |
| SMILES | CCCCCCC(=O)C1=CC=C(O)C=C1 |
| Synonym | Hexyl 4-Hydroxyphenyl Ketone |
| IUPAC Name | 1-(4-hydroxyphenyl)heptan-1-one |
| InChI Key | MAZPQHJYGKZQEA-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |