Carbonyl compounds
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5-Fluoroisatin 98.0+%, TCI America™
CAS: 443-69-6 Molecular Formula: C8H4FNO2 Molecular Weight (g/mol): 165.123 MDL Number: MFCD00022795 InChI Key: GKODDAXOSGGARJ-UHFFFAOYSA-N Synonym: 5-fluoroisatin,5-fluoroindoline-2,3-dione,5-fluoro isatin,5-fluoro-2,3-dihydro-1h-indole-2,3-dione,5-fluoroisatine,5-fluoro-2,3-indoledione,5-fluoroindole-2,3-dione,1h-indole-2,3-dione, 5-fluoro,5-fluoro-2,3-indolinedione,5-fluoro-2,3-indolindione PubChem CID: 236566 IUPAC Name: 5-fluoro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1F)C(=O)C(=O)N2
| PubChem CID | 236566 |
|---|---|
| CAS | 443-69-6 |
| Molecular Weight (g/mol) | 165.123 |
| MDL Number | MFCD00022795 |
| SMILES | C1=CC2=C(C=C1F)C(=O)C(=O)N2 |
| Synonym | 5-fluoroisatin,5-fluoroindoline-2,3-dione,5-fluoro isatin,5-fluoro-2,3-dihydro-1h-indole-2,3-dione,5-fluoroisatine,5-fluoro-2,3-indoledione,5-fluoroindole-2,3-dione,1h-indole-2,3-dione, 5-fluoro,5-fluoro-2,3-indolinedione,5-fluoro-2,3-indolindione |
| IUPAC Name | 5-fluoro-1H-indole-2,3-dione |
| InChI Key | GKODDAXOSGGARJ-UHFFFAOYSA-N |
| Molecular Formula | C8H4FNO2 |
4'-Hexylacetophenone 96.0+%, TCI America™
CAS: 37592-72-6 Molecular Formula: C14H20O Molecular Weight (g/mol): 204.313 MDL Number: MFCD00043677 InChI Key: WWBVHJKFJZBRSO-UHFFFAOYSA-N Synonym: p-hexylacetophenone,1-4-hexylphenyl ethanone,4'-hexylacetophenone,1-4-hexylphenyl ethan-1-one,4'-n-hexylacetophenone,ethanone, 1-4-hexylphenyl,4-n-hexylacetophenone,4-hexylacetophenone,1-acetyl-4-hexylbenzene,agarose gpg/le PubChem CID: 123462 IUPAC Name: 1-(4-hexylphenyl)ethanone SMILES: CCCCCCC1=CC=C(C=C1)C(=O)C
| PubChem CID | 123462 |
|---|---|
| CAS | 37592-72-6 |
| Molecular Weight (g/mol) | 204.313 |
| MDL Number | MFCD00043677 |
| SMILES | CCCCCCC1=CC=C(C=C1)C(=O)C |
| Synonym | p-hexylacetophenone,1-4-hexylphenyl ethanone,4'-hexylacetophenone,1-4-hexylphenyl ethan-1-one,4'-n-hexylacetophenone,ethanone, 1-4-hexylphenyl,4-n-hexylacetophenone,4-hexylacetophenone,1-acetyl-4-hexylbenzene,agarose gpg/le |
| IUPAC Name | 1-(4-hexylphenyl)ethanone |
| InChI Key | WWBVHJKFJZBRSO-UHFFFAOYSA-N |
| Molecular Formula | C14H20O |
4-Methyl-2-oxovaleric Acid 95.0+%, TCI America™
CAS: 816-66-0 Molecular Formula: C6H9NaO3 Molecular Weight (g/mol): 152.13 MDL Number: MFCD00066204 InChI Key: IXFAZKRLPPMQEO-UHFFFAOYSA-M Synonym: 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate PubChem CID: 70 ChEBI: CHEBI:48430 IUPAC Name: sodium 4-methyl-2-oxopentanoate SMILES: [Na+].CC(C)CC(=O)C([O-])=O
| PubChem CID | 70 |
|---|---|
| CAS | 816-66-0 |
| Molecular Weight (g/mol) | 152.13 |
| ChEBI | CHEBI:48430 |
| MDL Number | MFCD00066204 |
| SMILES | [Na+].CC(C)CC(=O)C([O-])=O |
| Synonym | 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate |
| IUPAC Name | sodium 4-methyl-2-oxopentanoate |
| InChI Key | IXFAZKRLPPMQEO-UHFFFAOYSA-M |
| Molecular Formula | C6H9NaO3 |
3-Acetyl-2-(methylaminosulfonyl)thiophene 98.0+%, TCI America™
CAS: 138891-01-7 Molecular Formula: C7H9NO3S2 Molecular Weight (g/mol): 219.273 MDL Number: MFCD00191372 InChI Key: OTWLSKTWKAMLMQ-UHFFFAOYSA-N Synonym: 3-Acetyl-2-thiophene-N-methylsulfonamide PubChem CID: 10632675 IUPAC Name: 3-acetyl-N-methylthiophene-2-sulfonamide SMILES: CC(=O)C1=C(SC=C1)S(=O)(=O)NC
| PubChem CID | 10632675 |
|---|---|
| CAS | 138891-01-7 |
| Molecular Weight (g/mol) | 219.273 |
| MDL Number | MFCD00191372 |
| SMILES | CC(=O)C1=C(SC=C1)S(=O)(=O)NC |
| Synonym | 3-Acetyl-2-thiophene-N-methylsulfonamide |
| IUPAC Name | 3-acetyl-N-methylthiophene-2-sulfonamide |
| InChI Key | OTWLSKTWKAMLMQ-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3S2 |
4'-Ethoxyacetophenone 98.0+%, TCI America™
CAS: 1676-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009095 InChI Key: YJFNFQHMQJCPRG-UHFFFAOYSA-N Synonym: 4'-ethoxyacetophenone,1-4-ethoxyphenyl ethanone,p-ethoxyacetophenone,4-ethoxyacetophenone,1-4-ethoxyphenyl ethan-1-one,ethanone, 1-4-ethoxyphenyl,4'-ethoxy acetophenone,acetophenone, p-ethoxy,acetophenone, 4'-ethoxy,4-ethoxyphenylethanone PubChem CID: 72872 IUPAC Name: 1-(4-ethoxyphenyl)ethan-1-one SMILES: CCOC1=CC=C(C=C1)C(C)=O
| PubChem CID | 72872 |
|---|---|
| CAS | 1676-63-7 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00009095 |
| SMILES | CCOC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-ethoxyacetophenone,1-4-ethoxyphenyl ethanone,p-ethoxyacetophenone,4-ethoxyacetophenone,1-4-ethoxyphenyl ethan-1-one,ethanone, 1-4-ethoxyphenyl,4'-ethoxy acetophenone,acetophenone, p-ethoxy,acetophenone, 4'-ethoxy,4-ethoxyphenylethanone |
| IUPAC Name | 1-(4-ethoxyphenyl)ethan-1-one |
| InChI Key | YJFNFQHMQJCPRG-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Sodium Anthraquinone-2-sulfonate Monohydrate 98.0+%, TCI America™
CAS: 153277-35-1 Molecular Formula: C14H7NaO5S Molecular Weight (g/mol): 310.25 MDL Number: MFCD00001229 InChI Key: GGCZERPQGJTIQP-UHFFFAOYSA-M Synonym: sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate hydrate,anthraquinone-2-sulfonic acid sodium salt monohydrate,sodium anthraquinone-2-sulfonate monohydrate,sodium 9,10-dioxoanthracene-2-sulfonate hydrate,9,10-anthraquinone-2-sulfonic acid sodium salt hydrate,anthraquinone-2-sulfonic acid, sodium salt, monohydrate,9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt,acmc-209bkc,c14h8o5s.na.h2o,anthraquinone-2-sulfonic acid sodium salt hydrate PubChem CID: 23666331 IUPAC Name: sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate SMILES: [Na+].[O-]S(=O)(=O)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1
| PubChem CID | 23666331 |
|---|---|
| CAS | 153277-35-1 |
| Molecular Weight (g/mol) | 310.25 |
| MDL Number | MFCD00001229 |
| SMILES | [Na+].[O-]S(=O)(=O)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1 |
| Synonym | sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate hydrate,anthraquinone-2-sulfonic acid sodium salt monohydrate,sodium anthraquinone-2-sulfonate monohydrate,sodium 9,10-dioxoanthracene-2-sulfonate hydrate,9,10-anthraquinone-2-sulfonic acid sodium salt hydrate,anthraquinone-2-sulfonic acid, sodium salt, monohydrate,9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt,acmc-209bkc,c14h8o5s.na.h2o,anthraquinone-2-sulfonic acid sodium salt hydrate |
| IUPAC Name | sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate |
| InChI Key | GGCZERPQGJTIQP-UHFFFAOYSA-M |
| Molecular Formula | C14H7NaO5S |
1-Hydroxyanthraquinone 98.0+%, TCI America™
CAS: 129-43-1 Molecular Formula: C14H8O3 Molecular Weight (g/mol): 224.215 MDL Number: MFCD00058946 InChI Key: BTLXPCBPYBNQNR-UHFFFAOYSA-N PubChem CID: 8512 ChEBI: CHEBI:28877 IUPAC Name: 1-hydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O
| PubChem CID | 8512 |
|---|---|
| CAS | 129-43-1 |
| Molecular Weight (g/mol) | 224.215 |
| ChEBI | CHEBI:28877 |
| MDL Number | MFCD00058946 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O |
| IUPAC Name | 1-hydroxyanthracene-9,10-dione |
| InChI Key | BTLXPCBPYBNQNR-UHFFFAOYSA-N |
| Molecular Formula | C14H8O3 |
1,5-Diaminoanthraquinone 92.0+%, TCI America™
CAS: 129-44-2 Molecular Formula: C14H10N2O2 Molecular Weight (g/mol): 238.246 MDL Number: MFCD00001226 InChI Key: VWBVCOPVKXNMMZ-UHFFFAOYSA-N Synonym: 1,5-diaminoanthraquinone,smoke red f,1,5-diaminoanthrachinon,c.i. disperse red ii,1,5-anthraquinonyldiamine,9,10-anthracenedione, 1,5-diamino,1,5-diamino-9,10-anthraquinone,1,5-daa,1,5-daa russian,unii-3zxx3hk358 PubChem CID: 8513 IUPAC Name: 1,5-diaminoanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)N
| PubChem CID | 8513 |
|---|---|
| CAS | 129-44-2 |
| Molecular Weight (g/mol) | 238.246 |
| MDL Number | MFCD00001226 |
| SMILES | C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)N |
| Synonym | 1,5-diaminoanthraquinone,smoke red f,1,5-diaminoanthrachinon,c.i. disperse red ii,1,5-anthraquinonyldiamine,9,10-anthracenedione, 1,5-diamino,1,5-diamino-9,10-anthraquinone,1,5-daa,1,5-daa russian,unii-3zxx3hk358 |
| IUPAC Name | 1,5-diaminoanthracene-9,10-dione |
| InChI Key | VWBVCOPVKXNMMZ-UHFFFAOYSA-N |
| Molecular Formula | C14H10N2O2 |
Isatin 98.0+%, TCI America™
CAS: 91-56-5 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00005718 InChI Key: JXDYKVIHCLTXOP-UHFFFAOYSA-N Synonym: isatin,indoline-2,3-dione,2,3-indolinedione,indole-2,3-dione,isatine,2,3-dioxoindoline,pseudoisatin,tribulin,isotin,isatic acid lactam PubChem CID: 7054 ChEBI: CHEBI:27539 IUPAC Name: 1H-indole-2,3-dione SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2
| PubChem CID | 7054 |
|---|---|
| CAS | 91-56-5 |
| Molecular Weight (g/mol) | 147.133 |
| ChEBI | CHEBI:27539 |
| MDL Number | MFCD00005718 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)N2 |
| Synonym | isatin,indoline-2,3-dione,2,3-indolinedione,indole-2,3-dione,isatine,2,3-dioxoindoline,pseudoisatin,tribulin,isotin,isatic acid lactam |
| IUPAC Name | 1H-indole-2,3-dione |
| InChI Key | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2 |
2-Methyl-4'-(methylthio)-2-morpholinopropiophenone 98.0+%, TCI America™
CAS: 71868-10-5 Molecular Formula: C15H21NO2S Molecular Weight (g/mol): 279.398 MDL Number: MFCD00083014 InChI Key: LWRBVKNFOYUCNP-UHFFFAOYSA-N Synonym: 2-Methyl-1-[4-(methylthio)phenyl]-2-morpholino-1-propanone PubChem CID: 92387 IUPAC Name: 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one SMILES: CC(C)(C(=O)C1=CC=C(C=C1)SC)N2CCOCC2
| PubChem CID | 92387 |
|---|---|
| CAS | 71868-10-5 |
| Molecular Weight (g/mol) | 279.398 |
| MDL Number | MFCD00083014 |
| SMILES | CC(C)(C(=O)C1=CC=C(C=C1)SC)N2CCOCC2 |
| Synonym | 2-Methyl-1-[4-(methylthio)phenyl]-2-morpholino-1-propanone |
| IUPAC Name | 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one |
| InChI Key | LWRBVKNFOYUCNP-UHFFFAOYSA-N |
| Molecular Formula | C15H21NO2S |
(3-Chlorobenzoyl)acetonitrile 97.0+%, TCI America™
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 |
Ethyl 2-Butylacetoacetate 96.0+%, TCI America™
CAS: 1540-29-0 Molecular Formula: C10H18O3 Molecular Weight (g/mol): 186.251 MDL Number: MFCD00026888 InChI Key: ZTOQBHVLCJERBS-UHFFFAOYSA-N Synonym: ethyl 2-n-butylacetoacetate,ethyl 2-butylacetoacetate,hexanoic acid, 2-acetyl-, ethyl ester,ethyl .alpha.-butylacetoacetate,2-acetylhexanoic acid ethyl ester,ethyl butyl acetoacetate,ethyl 2-acetyl hexanoate,acmc-209da5,ethyl-2-n-butylacetoacetate,ksc494i1n PubChem CID: 95466 IUPAC Name: ethyl 2-acetylhexanoate SMILES: CCCCC(C(=O)C)C(=O)OCC
| PubChem CID | 95466 |
|---|---|
| CAS | 1540-29-0 |
| Molecular Weight (g/mol) | 186.251 |
| MDL Number | MFCD00026888 |
| SMILES | CCCCC(C(=O)C)C(=O)OCC |
| Synonym | ethyl 2-n-butylacetoacetate,ethyl 2-butylacetoacetate,hexanoic acid, 2-acetyl-, ethyl ester,ethyl .alpha.-butylacetoacetate,2-acetylhexanoic acid ethyl ester,ethyl butyl acetoacetate,ethyl 2-acetyl hexanoate,acmc-209da5,ethyl-2-n-butylacetoacetate,ksc494i1n |
| IUPAC Name | ethyl 2-acetylhexanoate |
| InChI Key | ZTOQBHVLCJERBS-UHFFFAOYSA-N |
| Molecular Formula | C10H18O3 |
Ethyl 3-Oxoheptanoate 95.0+%, TCI America™
CAS: 7737-62-4 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00143188 InChI Key: UKRVECBFDMVBPU-UHFFFAOYSA-N Synonym: Ethyl 3-Oxoenanthate, 3-Oxoheptanoic Acid Ethyl Ester, 3-Ketoheptanoic Acid Ethyl Ester, 3-Oxoenanthic Acid Ethyl Ester PubChem CID: 559036 IUPAC Name: ethyl 3-oxoheptanoate SMILES: CCCCC(=O)CC(=O)OCC
| PubChem CID | 559036 |
|---|---|
| CAS | 7737-62-4 |
| Molecular Weight (g/mol) | 172.22 |
| MDL Number | MFCD00143188 |
| SMILES | CCCCC(=O)CC(=O)OCC |
| Synonym | Ethyl 3-Oxoenanthate, 3-Oxoheptanoic Acid Ethyl Ester, 3-Ketoheptanoic Acid Ethyl Ester, 3-Oxoenanthic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-oxoheptanoate |
| InChI Key | UKRVECBFDMVBPU-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Diethyl Acetonylmalonate 95.0+%, TCI America™
CAS: 23193-18-2 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.233 MDL Number: MFCD00177949 InChI Key: KGZCSZOGMMZHKB-UHFFFAOYSA-N Synonym: Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester PubChem CID: 12000252 IUPAC Name: diethyl 2-(2-oxopropyl)propanedioate SMILES: CCOC(=O)C(CC(=O)C)C(=O)OCC
| PubChem CID | 12000252 |
|---|---|
| CAS | 23193-18-2 |
| Molecular Weight (g/mol) | 216.233 |
| MDL Number | MFCD00177949 |
| SMILES | CCOC(=O)C(CC(=O)C)C(=O)OCC |
| Synonym | Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-(2-oxopropyl)propanedioate |
| InChI Key | KGZCSZOGMMZHKB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5 |
Diethyl 2-Propynylmalonate 97.0+%, TCI America™
CAS: 17920-23-9 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00091967 InChI Key: FKXOELIKVUIBLP-UHFFFAOYSA-N Synonym: 2-Propynylmalonic Acid Diethyl Ester, Diethyl Propargylmalonate, Propargylmalonic Acid Diethyl Ester PubChem CID: 28835 IUPAC Name: diethyl 2-prop-2-ynylpropanedioate SMILES: CCOC(=O)C(CC#C)C(=O)OCC
| PubChem CID | 28835 |
|---|---|
| CAS | 17920-23-9 |
| Molecular Weight (g/mol) | 198.218 |
| MDL Number | MFCD00091967 |
| SMILES | CCOC(=O)C(CC#C)C(=O)OCC |
| Synonym | 2-Propynylmalonic Acid Diethyl Ester, Diethyl Propargylmalonate, Propargylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-prop-2-ynylpropanedioate |
| InChI Key | FKXOELIKVUIBLP-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |