Carbonyl compounds
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1,3-Di(2-pyridyl)-1,3-propanedione 98.0+%, TCI America™
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CAS: 10198-89-7 Molecular Formula: C13H10N2O2 Molecular Weight (g/mol): 226.235 MDL Number: MFCD01321157 InChI Key: DCGUVLMWGIPVDP-UHFFFAOYSA-N Synonym: Dipicolinoylmethane PubChem CID: 2728494 IUPAC Name: 1,3-dipyridin-2-ylpropane-1,3-dione SMILES: C1=CC=NC(=C1)C(=O)CC(=O)C2=CC=CC=N2
| PubChem CID | 2728494 |
|---|---|
| CAS | 10198-89-7 |
| Molecular Weight (g/mol) | 226.235 |
| MDL Number | MFCD01321157 |
| SMILES | C1=CC=NC(=C1)C(=O)CC(=O)C2=CC=CC=N2 |
| Synonym | Dipicolinoylmethane |
| IUPAC Name | 1,3-dipyridin-2-ylpropane-1,3-dione |
| InChI Key | DCGUVLMWGIPVDP-UHFFFAOYSA-N |
| Molecular Formula | C13H10N2O2 |
4-Hydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 123-08-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00006939 InChI Key: RGHHSNMVTDWUBI-UHFFFAOYSA-N Synonym: p-hydroxybenzaldehyde,4-formylphenol,p-formylphenol,p-oxybenzaldehyde,benzaldehyde, 4-hydroxy,parahydroxybenzaldehyde,benzaldehyde, p-hydroxy,4-hydroxy-benzaldehyde,usaf m-6,4-hydroxy benzaldehyde PubChem CID: 126 ChEBI: CHEBI:17597 IUPAC Name: 4-hydroxybenzaldehyde SMILES: C1=CC(=CC=C1C=O)O
| PubChem CID | 126 |
|---|---|
| CAS | 123-08-0 |
| Molecular Weight (g/mol) | 122.123 |
| ChEBI | CHEBI:17597 |
| MDL Number | MFCD00006939 |
| SMILES | C1=CC(=CC=C1C=O)O |
| Synonym | p-hydroxybenzaldehyde,4-formylphenol,p-formylphenol,p-oxybenzaldehyde,benzaldehyde, 4-hydroxy,parahydroxybenzaldehyde,benzaldehyde, p-hydroxy,4-hydroxy-benzaldehyde,usaf m-6,4-hydroxy benzaldehyde |
| IUPAC Name | 4-hydroxybenzaldehyde |
| InChI Key | RGHHSNMVTDWUBI-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
4',6'-Dimethoxy-2'-hydroxyacetophenone 98.0+%, TCI America™
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CAS: 90-24-4 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00017243 InChI Key: FBUBVLUPUDBFME-UHFFFAOYSA-N Synonym: xanthoxylin,2'-hydroxy-4',6'-dimethoxyacetophenone,brevifolin,xanthoxyline,2-hydroxy-4,6-dimethoxyacetophenone,1-2-hydroxy-4,6-dimethoxyphenyl ethanone,brevifolin zanthoxylum,phloracetophenone dimethyl ether,brevifolin van,1-2-hydroxy-4,6-dimethoxyphenyl ethan-1-one PubChem CID: 66654 ChEBI: CHEBI:10070 IUPAC Name: 1-(2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one SMILES: COC1=CC(O)=C(C(C)=O)C(OC)=C1
| PubChem CID | 66654 |
|---|---|
| CAS | 90-24-4 |
| Molecular Weight (g/mol) | 196.20 |
| ChEBI | CHEBI:10070 |
| MDL Number | MFCD00017243 |
| SMILES | COC1=CC(O)=C(C(C)=O)C(OC)=C1 |
| Synonym | xanthoxylin,2'-hydroxy-4',6'-dimethoxyacetophenone,brevifolin,xanthoxyline,2-hydroxy-4,6-dimethoxyacetophenone,1-2-hydroxy-4,6-dimethoxyphenyl ethanone,brevifolin zanthoxylum,phloracetophenone dimethyl ether,brevifolin van,1-2-hydroxy-4,6-dimethoxyphenyl ethan-1-one |
| IUPAC Name | 1-(2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one |
| InChI Key | FBUBVLUPUDBFME-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
trans-2-Octenal 96.0+%, TCI America™
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CAS: 2548-87-0 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00007011 InChI Key: LVBXEMGDVWVTGY-VOTSOKGWSA-N Synonym: trans-2-octenal,e-oct-2-enal,e-2-octenal,2-octenal,trans-2-octen-1-al,e-2-octen-1-al,2-octen-1-al,2-octenel,2-octenal, e,2-octenal, 2e PubChem CID: 5283324 ChEBI: CHEBI:61748 IUPAC Name: (E)-oct-2-enal SMILES: CCCCCC=CC=O
| PubChem CID | 5283324 |
|---|---|
| CAS | 2548-87-0 |
| Molecular Weight (g/mol) | 126.199 |
| ChEBI | CHEBI:61748 |
| MDL Number | MFCD00007011 |
| SMILES | CCCCCC=CC=O |
| Synonym | trans-2-octenal,e-oct-2-enal,e-2-octenal,2-octenal,trans-2-octen-1-al,e-2-octen-1-al,2-octen-1-al,2-octenel,2-octenal, e,2-octenal, 2e |
| IUPAC Name | (E)-oct-2-enal |
| InChI Key | LVBXEMGDVWVTGY-VOTSOKGWSA-N |
| Molecular Formula | C8H14O |
2-Bromo-4-pyridinecarboxaldehyde 95.0+%, TCI America™
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CAS: 118289-17-1 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.008 MDL Number: MFCD04039311 InChI Key: RTWLIQFKXMWEJY-UHFFFAOYSA-N Synonym: 2-bromopyridine-4-carboxaldehyde,2-bromo-4-pyridinecarboxaldehyde,2-bromoisonicotinaldehyde,2-bromo-4-formylpyridine,2-bromo-4-pyridinecarbaldehyde,4-pyridinecarboxaldehyde, 2-bromo,2-bromopyridine-4-formylaldehyde,pubchem5075,2-bromisonicotinaldehyd,acmc-2099wk PubChem CID: 2762991 IUPAC Name: 2-bromopyridine-4-carbaldehyde SMILES: C1=CN=C(C=C1C=O)Br
| PubChem CID | 2762991 |
|---|---|
| CAS | 118289-17-1 |
| Molecular Weight (g/mol) | 186.008 |
| MDL Number | MFCD04039311 |
| SMILES | C1=CN=C(C=C1C=O)Br |
| Synonym | 2-bromopyridine-4-carboxaldehyde,2-bromo-4-pyridinecarboxaldehyde,2-bromoisonicotinaldehyde,2-bromo-4-formylpyridine,2-bromo-4-pyridinecarbaldehyde,4-pyridinecarboxaldehyde, 2-bromo,2-bromopyridine-4-formylaldehyde,pubchem5075,2-bromisonicotinaldehyd,acmc-2099wk |
| IUPAC Name | 2-bromopyridine-4-carbaldehyde |
| InChI Key | RTWLIQFKXMWEJY-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
(3-Chlorobenzoyl)acetonitrile 97.0+%, TCI America™
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CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N
| PubChem CID | 140855 |
|---|---|
| CAS | 21667-62-9 |
| Molecular Weight (g/mol) | 179.60 |
| MDL Number | MFCD00067891 |
| SMILES | ClC1=CC=CC(=C1)C(=O)CC#N |
| Synonym | 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 |
| IUPAC Name | 3-(3-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | IUDFNNHFARLIPF-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
2,2,2,4'-Tetrafluoroacetophenone 98.0+%, TCI America™
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CAS: 655-32-3 Molecular Formula: C8H4F4O Molecular Weight (g/mol): 192.11 MDL Number: MFCD00042393 InChI Key: LUKLMXJAEKXROG-UHFFFAOYSA-N PubChem CID: 69564 IUPAC Name: 2,2,2-trifluoro-1-(4-fluorophenyl)ethan-1-one SMILES: FC1=CC=C(C=C1)C(=O)C(F)(F)F
| PubChem CID | 69564 |
|---|---|
| CAS | 655-32-3 |
| Molecular Weight (g/mol) | 192.11 |
| MDL Number | MFCD00042393 |
| SMILES | FC1=CC=C(C=C1)C(=O)C(F)(F)F |
| IUPAC Name | 2,2,2-trifluoro-1-(4-fluorophenyl)ethan-1-one |
| InChI Key | LUKLMXJAEKXROG-UHFFFAOYSA-N |
| Molecular Formula | C8H4F4O |
2-Bromo-4,5-dimethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 5392-10-9 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.07 MDL Number: MFCD00003301 InChI Key: UQQROBHFUDBOOK-UHFFFAOYSA-N Synonym: 6-bromoveratraldehyde,6-bromo-3,4-dimethoxybenzaldehyde,benzaldehyde, 2-bromo-4,5-dimethoxy,6-bromo veratraldehyde,2-bromo-4,5-dimethoxybenzalehyde,4,5-dimethoxy-2-bromobenzaldehyde,6-bromoveratral,pubchem8209,veratraldehyde, 6-bromo,acmc-2097hh PubChem CID: 79351 IUPAC Name: 2-bromo-4,5-dimethoxybenzaldehyde SMILES: COC1=C(C=C(C(=C1)C=O)Br)OC
| PubChem CID | 79351 |
|---|---|
| CAS | 5392-10-9 |
| Molecular Weight (g/mol) | 245.07 |
| MDL Number | MFCD00003301 |
| SMILES | COC1=C(C=C(C(=C1)C=O)Br)OC |
| Synonym | 6-bromoveratraldehyde,6-bromo-3,4-dimethoxybenzaldehyde,benzaldehyde, 2-bromo-4,5-dimethoxy,6-bromo veratraldehyde,2-bromo-4,5-dimethoxybenzalehyde,4,5-dimethoxy-2-bromobenzaldehyde,6-bromoveratral,pubchem8209,veratraldehyde, 6-bromo,acmc-2097hh |
| IUPAC Name | 2-bromo-4,5-dimethoxybenzaldehyde |
| InChI Key | UQQROBHFUDBOOK-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO3 |
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 |
Biphenyl-4-carboxaldehyde 95.0+%, TCI America™
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CAS: 3218-36-8 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 MDL Number: MFCD00006947 InChI Key: ISDBWOPVZKNQDW-UHFFFAOYSA-N Synonym: 4-biphenylcarboxaldehyde,4-biphenylaldehyde,p-phenylbenzaldehyde,1,1'-biphenyl-4-carbaldehyde,biphenyl-4-carboxaldehyde,4-formylbiphenyl,p-biphenylylaldehyde,1,1'-biphenyl-4-carboxaldehyde,p-biphenylaldehyde,p-biphenylcarboxaldehyde PubChem CID: 76689 IUPAC Name: [1,1'-biphenyl]-4-carbaldehyde SMILES: O=CC1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 76689 |
|---|---|
| CAS | 3218-36-8 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00006947 |
| SMILES | O=CC1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-biphenylcarboxaldehyde,4-biphenylaldehyde,p-phenylbenzaldehyde,1,1'-biphenyl-4-carbaldehyde,biphenyl-4-carboxaldehyde,4-formylbiphenyl,p-biphenylylaldehyde,1,1'-biphenyl-4-carboxaldehyde,p-biphenylaldehyde,p-biphenylcarboxaldehyde |
| IUPAC Name | [1,1'-biphenyl]-4-carbaldehyde |
| InChI Key | ISDBWOPVZKNQDW-UHFFFAOYSA-N |
| Molecular Formula | C13H10O |
1-(4-Bromophenyl)-2-methyl-1-propanone 95.0+%, TCI America™
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CAS: 49660-93-7 Molecular Formula: C10H11BrO Molecular Weight (g/mol): 227.101 MDL Number: MFCD09891214 InChI Key: PMFLKZHWZXWOEH-UHFFFAOYSA-N PubChem CID: 15074783 IUPAC Name: 1-(4-bromophenyl)-2-methylpropan-1-one SMILES: CC(C)C(=O)C1=CC=C(C=C1)Br
| PubChem CID | 15074783 |
|---|---|
| CAS | 49660-93-7 |
| Molecular Weight (g/mol) | 227.101 |
| MDL Number | MFCD09891214 |
| SMILES | CC(C)C(=O)C1=CC=C(C=C1)Br |
| IUPAC Name | 1-(4-bromophenyl)-2-methylpropan-1-one |
| InChI Key | PMFLKZHWZXWOEH-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO |
5-Hydroxy-1-indanone 98.0+%, TCI America™
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CAS: 3470-49-3 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00857527 InChI Key: ZRKQOVXGDIZYDS-UHFFFAOYSA-N PubChem CID: 233147 IUPAC Name: 5-hydroxy-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)O
| PubChem CID | 233147 |
|---|---|
| CAS | 3470-49-3 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00857527 |
| SMILES | C1CC(=O)C2=C1C=C(C=C2)O |
| IUPAC Name | 5-hydroxy-2,3-dihydroinden-1-one |
| InChI Key | ZRKQOVXGDIZYDS-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
Benzo[b]thiophene-3-carboxaldehyde 98.0+%, TCI America™
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CAS: 5381-20-4 Molecular Formula: C9H6OS Molecular Weight (g/mol): 162.21 MDL Number: MFCD00052376 InChI Key: WDJLPQCBTBZTRH-UHFFFAOYSA-N Synonym: benzo b thiophene-3-carbaldehyde,benzo b thiophene-3-carboxaldehyde,thianaphthene-3-carboxaldehyde,3-formylbenzo b thiophene,benzothiophene-3-carbaldehyde,1-benzothiophen-3-carbaldehyd,pubchem13543,acmc-1apd4,thianapthene-3-carboxaldehyde,ksc274c6b PubChem CID: 227328 IUPAC Name: 1-benzothiophene-3-carbaldehyde SMILES: O=CC1=CSC2=CC=CC=C12
| PubChem CID | 227328 |
|---|---|
| CAS | 5381-20-4 |
| Molecular Weight (g/mol) | 162.21 |
| MDL Number | MFCD00052376 |
| SMILES | O=CC1=CSC2=CC=CC=C12 |
| Synonym | benzo b thiophene-3-carbaldehyde,benzo b thiophene-3-carboxaldehyde,thianaphthene-3-carboxaldehyde,3-formylbenzo b thiophene,benzothiophene-3-carbaldehyde,1-benzothiophen-3-carbaldehyd,pubchem13543,acmc-1apd4,thianapthene-3-carboxaldehyde,ksc274c6b |
| IUPAC Name | 1-benzothiophene-3-carbaldehyde |
| InChI Key | WDJLPQCBTBZTRH-UHFFFAOYSA-N |
| Molecular Formula | C9H6OS |
Butyl Acetoacetate 98.0+%, TCI America™
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CAS: 591-60-6 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00059252 InChI Key: REIYHFWZISXFKU-UHFFFAOYSA-N Synonym: Acetoacetic Acid Butyl Ester PubChem CID: 11576 IUPAC Name: butyl 3-oxobutanoate SMILES: CCCCOC(=O)CC(C)=O
| PubChem CID | 11576 |
|---|---|
| CAS | 591-60-6 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD00059252 |
| SMILES | CCCCOC(=O)CC(C)=O |
| Synonym | Acetoacetic Acid Butyl Ester |
| IUPAC Name | butyl 3-oxobutanoate |
| InChI Key | REIYHFWZISXFKU-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
3',5'-Dichloroacetophenone 98.0+%, TCI America™
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CAS: 14401-72-0 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.035 MDL Number: MFCD00045189 InChI Key: JGMBBKVZFUHCJC-UHFFFAOYSA-N PubChem CID: 2758058 IUPAC Name: 1-(3,5-dichlorophenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1)Cl)Cl
| PubChem CID | 2758058 |
|---|---|
| CAS | 14401-72-0 |
| Molecular Weight (g/mol) | 189.035 |
| MDL Number | MFCD00045189 |
| SMILES | CC(=O)C1=CC(=CC(=C1)Cl)Cl |
| IUPAC Name | 1-(3,5-dichlorophenyl)ethanone |
| InChI Key | JGMBBKVZFUHCJC-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |