Carbonyl compounds
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3-Methyl-2-butenal 97.0+%, TCI America™
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CAS: 107-86-8 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00010291 InChI Key: SEPQTYODOKLVSB-UHFFFAOYSA-N Synonym: 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde PubChem CID: 61020 ChEBI: CHEBI:15825 IUPAC Name: 3-methylbut-2-enal SMILES: CC(=CC=O)C
| PubChem CID | 61020 |
|---|---|
| CAS | 107-86-8 |
| Molecular Weight (g/mol) | 84.118 |
| ChEBI | CHEBI:15825 |
| MDL Number | MFCD00010291 |
| SMILES | CC(=CC=O)C |
| Synonym | 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde |
| IUPAC Name | 3-methylbut-2-enal |
| InChI Key | SEPQTYODOKLVSB-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
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 |
1-Octen-3-one 95.0+%, TCI America™
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CAS: 4312-99-6 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00036558 InChI Key: KLTVSWGXIAYTHO-UHFFFAOYSA-N Synonym: 1-octen-3-one,vinyl amyl ketone,amyl vinyl ketone,pentyl vinyl ketone,unii-7lt7z4q9xr,1-octene-3-one,fema no. 3515,7lt7z4q9xr,n-pentyl vinyl ketone,octen-3-one, 1 PubChem CID: 61346 IUPAC Name: oct-1-en-3-one SMILES: CCCCCC(=O)C=C
| PubChem CID | 61346 |
|---|---|
| CAS | 4312-99-6 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00036558 |
| SMILES | CCCCCC(=O)C=C |
| Synonym | 1-octen-3-one,vinyl amyl ketone,amyl vinyl ketone,pentyl vinyl ketone,unii-7lt7z4q9xr,1-octene-3-one,fema no. 3515,7lt7z4q9xr,n-pentyl vinyl ketone,octen-3-one, 1 |
| IUPAC Name | oct-1-en-3-one |
| InChI Key | KLTVSWGXIAYTHO-UHFFFAOYSA-N |
| Molecular Formula | C8H14O |
Undecanophenone 98.0+%, TCI America™
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CAS: 4433-30-1 Molecular Formula: C17H26O Molecular Weight (g/mol): 246.394 MDL Number: MFCD00051548 InChI Key: LHJBFOGCFZHBAJ-UHFFFAOYSA-N Synonym: undecanophenone,n-undecanophenone,1-phenylundecanone,1-undecanone, 1-phenyl,decyl phenyl ketone,1-phenyl-1-undecanone,1-phenyl-undecan-1-one,1-phenyl-1-undecanone #,acmc-209jx6 PubChem CID: 78167 IUPAC Name: 1-phenylundecan-1-one SMILES: CCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 78167 |
|---|---|
| CAS | 4433-30-1 |
| Molecular Weight (g/mol) | 246.394 |
| MDL Number | MFCD00051548 |
| SMILES | CCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | undecanophenone,n-undecanophenone,1-phenylundecanone,1-undecanone, 1-phenyl,decyl phenyl ketone,1-phenyl-1-undecanone,1-phenyl-undecan-1-one,1-phenyl-1-undecanone #,acmc-209jx6 |
| IUPAC Name | 1-phenylundecan-1-one |
| InChI Key | LHJBFOGCFZHBAJ-UHFFFAOYSA-N |
| Molecular Formula | C17H26O |
N,N,N',N'-Tetramethylmalonamide 97.0+%, TCI America™
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CAS: 7313-22-6 Molecular Formula: C7H14N2O2 Molecular Weight (g/mol): 158.201 MDL Number: MFCD03093641 InChI Key: AOXCXILUIVQCHH-UHFFFAOYSA-N PubChem CID: 10975767 IUPAC Name: N,N,N',N'-tetramethylpropanediamide SMILES: CN(C)C(=O)CC(=O)N(C)C
| PubChem CID | 10975767 |
|---|---|
| CAS | 7313-22-6 |
| Molecular Weight (g/mol) | 158.201 |
| MDL Number | MFCD03093641 |
| SMILES | CN(C)C(=O)CC(=O)N(C)C |
| IUPAC Name | N,N,N',N'-tetramethylpropanediamide |
| InChI Key | AOXCXILUIVQCHH-UHFFFAOYSA-N |
| Molecular Formula | C7H14N2O2 |
Magnesium 4-Nitrobenzyl Malonate Hydrate, TCI America™
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CAS: 83972-01-4 Molecular Formula: C20H16MgN2O12 Molecular Weight (g/mol): 500.655 MDL Number: MFCD00060141 InChI Key: WAFDWKYNSTVECG-UHFFFAOYSA-L Synonym: Malonic Acid Mono-4-nitrobenzyl Ester Magnesium Salt PubChem CID: 13338668 IUPAC Name: magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate SMILES: C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].[Mg+2]
| PubChem CID | 13338668 |
|---|---|
| CAS | 83972-01-4 |
| Molecular Weight (g/mol) | 500.655 |
| MDL Number | MFCD00060141 |
| SMILES | C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].[Mg+2] |
| Synonym | Malonic Acid Mono-4-nitrobenzyl Ester Magnesium Salt |
| IUPAC Name | magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate |
| InChI Key | WAFDWKYNSTVECG-UHFFFAOYSA-L |
| Molecular Formula | C20H16MgN2O12 |
6-Methyl-1-indanone 98.0+%, TCI America™
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CAS: 24623-20-9 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00275729 InChI Key: DBOXRDYLMJMQBB-UHFFFAOYSA-N Synonym: 6-methyl-1-indanone,6-methyl-2,3-dihydro-1h-inden-1-one,6-methylindan-1-one,6-methyl-indan-1-one,1h-inden-1-one, 2,3-dihydro-6-methyl,2,3-dihydro-6-methylinden-1-one,pubchem8851,acmc-209gdm,6-methyl-indane-1-one PubChem CID: 2795093 IUPAC Name: 6-methyl-2,3-dihydro-1H-inden-1-one SMILES: CC1=CC2=C(CCC2=O)C=C1
| PubChem CID | 2795093 |
|---|---|
| CAS | 24623-20-9 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD00275729 |
| SMILES | CC1=CC2=C(CCC2=O)C=C1 |
| Synonym | 6-methyl-1-indanone,6-methyl-2,3-dihydro-1h-inden-1-one,6-methylindan-1-one,6-methyl-indan-1-one,1h-inden-1-one, 2,3-dihydro-6-methyl,2,3-dihydro-6-methylinden-1-one,pubchem8851,acmc-209gdm,6-methyl-indane-1-one |
| IUPAC Name | 6-methyl-2,3-dihydro-1H-inden-1-one |
| InChI Key | DBOXRDYLMJMQBB-UHFFFAOYSA-N |
| Molecular Formula | C10H10O |
2-Phenylsulfonylacetophenone 98.0+%, TCI America™
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CAS: 3406-03-9 Molecular Formula: C14H12O3S Molecular Weight (g/mol): 260.31 MDL Number: MFCD00025043 InChI Key: DREVPGKOIZVPQV-UHFFFAOYSA-N Synonym: 2-phenylsulfonyl acetophenone,2-phenylsulfonylacetophenone,1-phenyl-2-phenylsulfonyl ethanone,acetophenone, 2-phenylsulfonyl,2-benzenesulfonyl-1-phenylethanone,ethanone, 1-phenyl-2-phenylsulfonyl,1-phenyl-2-phenylsulphonyl ethan-1-one,alpha-phenylsulfonylacetophenone,2-benzenesulfonyl-1-phenylethan-1-one,1-phenyl-2-phenylsulfonyl ethan-1-one PubChem CID: 76949 IUPAC Name: 2-(benzenesulfonyl)-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2
| PubChem CID | 76949 |
|---|---|
| CAS | 3406-03-9 |
| Molecular Weight (g/mol) | 260.31 |
| MDL Number | MFCD00025043 |
| SMILES | C1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2 |
| Synonym | 2-phenylsulfonyl acetophenone,2-phenylsulfonylacetophenone,1-phenyl-2-phenylsulfonyl ethanone,acetophenone, 2-phenylsulfonyl,2-benzenesulfonyl-1-phenylethanone,ethanone, 1-phenyl-2-phenylsulfonyl,1-phenyl-2-phenylsulphonyl ethan-1-one,alpha-phenylsulfonylacetophenone,2-benzenesulfonyl-1-phenylethan-1-one,1-phenyl-2-phenylsulfonyl ethan-1-one |
| IUPAC Name | 2-(benzenesulfonyl)-1-phenylethanone |
| InChI Key | DREVPGKOIZVPQV-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3S |
2'-Hydroxy-4',6'-dimethoxy-2-phenylacetophenone 94.0+%, TCI America™
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CAS: 39604-66-5 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.30 MDL Number: MFCD00218596 InChI Key: NIWDJRBUBVCKAV-UHFFFAOYSA-N Synonym: Benzyl 2-Hydroxy-4,6-dimethoxyphenyl Ketone PubChem CID: 689040 IUPAC Name: 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylethan-1-one SMILES: COC1=CC(O)=C(C(=O)CC2=CC=CC=C2)C(OC)=C1
| PubChem CID | 689040 |
|---|---|
| CAS | 39604-66-5 |
| Molecular Weight (g/mol) | 272.30 |
| MDL Number | MFCD00218596 |
| SMILES | COC1=CC(O)=C(C(=O)CC2=CC=CC=C2)C(OC)=C1 |
| Synonym | Benzyl 2-Hydroxy-4,6-dimethoxyphenyl Ketone |
| IUPAC Name | 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylethan-1-one |
| InChI Key | NIWDJRBUBVCKAV-UHFFFAOYSA-N |
| Molecular Formula | C16H16O4 |
4'-Hydroxyacetophenone Oxime 98.0+%, TCI America™
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CAS: 34523-34-7 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00481697 InChI Key: NOGIFJNJJZFUDN-UHFFFAOYSA-N PubChem CID: 5357461 IUPAC Name: 4-[1-(hydroxyamino)ethylidene]cyclohexa-2,5-dien-1-one SMILES: CC(NO)=C1C=CC(=O)C=C1
| PubChem CID | 5357461 |
|---|---|
| CAS | 34523-34-7 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00481697 |
| SMILES | CC(NO)=C1C=CC(=O)C=C1 |
| IUPAC Name | 4-[1-(hydroxyamino)ethylidene]cyclohexa-2,5-dien-1-one |
| InChI Key | NOGIFJNJJZFUDN-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
6-Fluoro-2-methyl-4-chromanone 97.0+%, TCI America™
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CAS: 88754-96-5 Molecular Formula: C10H9FO2 Molecular Weight (g/mol): 180.18 MDL Number: MFCD00059072 InChI Key: RPAIBTVEPAACRP-UHFFFAOYNA-N PubChem CID: 2737390 IUPAC Name: 6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-one SMILES: CC1CC(=O)C2=C(O1)C=CC(F)=C2
| PubChem CID | 2737390 |
|---|---|
| CAS | 88754-96-5 |
| Molecular Weight (g/mol) | 180.18 |
| MDL Number | MFCD00059072 |
| SMILES | CC1CC(=O)C2=C(O1)C=CC(F)=C2 |
| IUPAC Name | 6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-one |
| InChI Key | RPAIBTVEPAACRP-UHFFFAOYNA-N |
| Molecular Formula | C10H9FO2 |
4'-Acetamido-2'-methylacetophenone 98.0+%, TCI America™
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CAS: 34956-31-5 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD02258876 InChI Key: PTARWPNYVATTDE-UHFFFAOYSA-N Synonym: n-4-acetyl-3-methylphenyl acetamide,4'-acetamido-2'-methylacetophenone,4-acetamido-2-methylacetophenone,pubchem12562,4'-acetyl-3'-methylacetoanilide,n-4-acetyl-3-methyl-phenyl-acetamide,4\\'-acetamido-2\\'-methylacetophenone,n-4-ethanoyl-3-methyl-phenyl ethanamide,acetamide, n-4-acetyl-3-methylphenyl PubChem CID: 2737381 IUPAC Name: N-(4-acetyl-3-methylphenyl)acetamide SMILES: CC(=O)NC1=CC(C)=C(C=C1)C(C)=O
| PubChem CID | 2737381 |
|---|---|
| CAS | 34956-31-5 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD02258876 |
| SMILES | CC(=O)NC1=CC(C)=C(C=C1)C(C)=O |
| Synonym | n-4-acetyl-3-methylphenyl acetamide,4'-acetamido-2'-methylacetophenone,4-acetamido-2-methylacetophenone,pubchem12562,4'-acetyl-3'-methylacetoanilide,n-4-acetyl-3-methyl-phenyl-acetamide,4\\'-acetamido-2\\'-methylacetophenone,n-4-ethanoyl-3-methyl-phenyl ethanamide,acetamide, n-4-acetyl-3-methylphenyl |
| IUPAC Name | N-(4-acetyl-3-methylphenyl)acetamide |
| InChI Key | PTARWPNYVATTDE-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO2 |
Malonamide 98.0+%, TCI America™
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CAS: 108-13-4 Molecular Formula: C3H6N2O2 Molecular Weight (g/mol): 102.093 MDL Number: MFCD00008034 InChI Key: WRIRWRKPLXCTFD-UHFFFAOYSA-N Synonym: malonamide,malonodiamide,malondiamide,malonyldiamide,carboxamidoacetamide,malonic acid diamide,malonic diamide,unii-qvq8cng255,qvq8cng255,methane-1,1-dicarboxamide PubChem CID: 7911 IUPAC Name: propanediamide SMILES: C(C(=O)N)C(=O)N
| PubChem CID | 7911 |
|---|---|
| CAS | 108-13-4 |
| Molecular Weight (g/mol) | 102.093 |
| MDL Number | MFCD00008034 |
| SMILES | C(C(=O)N)C(=O)N |
| Synonym | malonamide,malonodiamide,malondiamide,malonyldiamide,carboxamidoacetamide,malonic acid diamide,malonic diamide,unii-qvq8cng255,qvq8cng255,methane-1,1-dicarboxamide |
| IUPAC Name | propanediamide |
| InChI Key | WRIRWRKPLXCTFD-UHFFFAOYSA-N |
| Molecular Formula | C3H6N2O2 |
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 |
Aloe Emodin 97.0+%, TCI America™
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CAS: 481-72-1 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00017373 InChI Key: YDQWDHRMZQUTBA-UHFFFAOYSA-N Synonym: 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone PubChem CID: 10207 ChEBI: CHEBI:2607 IUPAC Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O
| PubChem CID | 10207 |
|---|---|
| CAS | 481-72-1 |
| Molecular Weight (g/mol) | 270.24 |
| ChEBI | CHEBI:2607 |
| MDL Number | MFCD00017373 |
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O |
| Synonym | 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone |
| IUPAC Name | 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione |
| InChI Key | YDQWDHRMZQUTBA-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |