Carbonyl compounds
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6-(tetrahydropyran-4-yloxy)pyridine-2-carbaldehyde, Thermo Scientific™
CAS: 898289-54-8 Molecular Formula: C11H13NO3 Molecular Weight (g/mol): 207.229 InChI Key: SBTGZJPHUYLRRU-UHFFFAOYSA-N Synonym: 6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yl oxy pyridine-2-carbaldehyde,6-tetrahydro-2h-pyran-4-yl oxy picolinaldehyde,6-2h-3,4,5,6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde PubChem CID: 45594294 IUPAC Name: 6-(oxan-4-yloxy)pyridine-2-carbaldehyde SMILES: C1COCCC1OC2=CC=CC(=N2)C=O
| PubChem CID | 45594294 |
|---|---|
| CAS | 898289-54-8 |
| Molecular Weight (g/mol) | 207.229 |
| SMILES | C1COCCC1OC2=CC=CC(=N2)C=O |
| Synonym | 6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yl oxy pyridine-2-carbaldehyde,6-tetrahydro-2h-pyran-4-yl oxy picolinaldehyde,6-2h-3,4,5,6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde |
| IUPAC Name | 6-(oxan-4-yloxy)pyridine-2-carbaldehyde |
| InChI Key | SBTGZJPHUYLRRU-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO3 |
2-Chloropyridine-3-carboxaldehyde, 98%
CAS: 36404-88-3 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.554 MDL Number: MFCD01315308 InChI Key: KHPAGGHFIDLUMB-UHFFFAOYSA-N Synonym: 2-chloro-3-formylpyridine,2-chloronicotinaldehyde,2-chloro-3-pyridinecarboxaldehyde,2-chloro-pyridine-3-carbaldehyde,chloro-2-formyl-3-pyridine,2-chloropyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-chloro,2-chloro-3-pyridinecarbaldehyde,2-chloro-3-pyridinecarboxyaldehyde,2-chloro-pyridin-3-carbaldehyde PubChem CID: 737607 IUPAC Name: 2-chloropyridine-3-carbaldehyde SMILES: C1=CC(=C(N=C1)Cl)C=O
| PubChem CID | 737607 |
|---|---|
| CAS | 36404-88-3 |
| Molecular Weight (g/mol) | 141.554 |
| MDL Number | MFCD01315308 |
| SMILES | C1=CC(=C(N=C1)Cl)C=O |
| Synonym | 2-chloro-3-formylpyridine,2-chloronicotinaldehyde,2-chloro-3-pyridinecarboxaldehyde,2-chloro-pyridine-3-carbaldehyde,chloro-2-formyl-3-pyridine,2-chloropyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-chloro,2-chloro-3-pyridinecarbaldehyde,2-chloro-3-pyridinecarboxyaldehyde,2-chloro-pyridin-3-carbaldehyde |
| IUPAC Name | 2-chloropyridine-3-carbaldehyde |
| InChI Key | KHPAGGHFIDLUMB-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
Thermo Scientific Chemicals D-Tagatose, 99%
CAS: 87-81-0 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00134449 InChI Key: BJHIKXHVCXFQLS-PQLUHFTBSA-N Synonym: 3s,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,lyxo-2-hexulose,tagatose, d,d--tagatose,keto-d-tagatose,tagatose nf,unii-t7a20y888y,d-lyxo-hex-2-ulose,naturlose PubChem CID: 92092 ChEBI: CHEBI:47693 IUPAC Name: (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 92092 |
|---|---|
| CAS | 87-81-0 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:47693 |
| MDL Number | MFCD00134449 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| Synonym | 3s,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,lyxo-2-hexulose,tagatose, d,d--tagatose,keto-d-tagatose,tagatose nf,unii-t7a20y888y,d-lyxo-hex-2-ulose,naturlose |
| IUPAC Name | (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-PQLUHFTBSA-N |
| Molecular Formula | C6H12O6 |
Ethyl 2-chloroacetoacetate, 96%
CAS: 609-15-4 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.59 MDL Number: MFCD00009141 InChI Key: RDULEYWUGKOCMR-UHFFFAOYNA-N PubChem CID: 11858 IUPAC Name: ethyl 2-chloro-3-oxobutanoate SMILES: CCOC(=O)C(Cl)C(C)=O
| PubChem CID | 11858 |
|---|---|
| CAS | 609-15-4 |
| Molecular Weight (g/mol) | 164.59 |
| MDL Number | MFCD00009141 |
| SMILES | CCOC(=O)C(Cl)C(C)=O |
| IUPAC Name | ethyl 2-chloro-3-oxobutanoate |
| InChI Key | RDULEYWUGKOCMR-UHFFFAOYNA-N |
| Molecular Formula | C6H9ClO3 |
6-Piperidinopyridine-2-carbaldehyde, ≥97%, Thermo Scientific™
CAS: 859850-71-8 Molecular Formula: C11H14N2O Molecular Weight (g/mol): 190.246 MDL Number: MFCD08543443 InChI Key: CFKVMXWXARUDQI-UHFFFAOYSA-N Synonym: 6-piperidin-1-yl picolinaldehyde,6-piperidinopyridine-2-carbaldehyde,6-piperidin-1-yl pyridine-2-carbaldehyde,2-formyl-6-piperidin-1-yl pyridine,6-piperidylpyridine-2-carbaldehyde,2-pyridinecarboxaldehyde,6-1-piperidinyl,2-pyridinecarboxaldehyde, 6-1-piperidinyl PubChem CID: 18525732 IUPAC Name: 6-piperidin-1-ylpyridine-2-carbaldehyde SMILES: C1CCN(CC1)C2=CC=CC(=N2)C=O
| PubChem CID | 18525732 |
|---|---|
| CAS | 859850-71-8 |
| Molecular Weight (g/mol) | 190.246 |
| MDL Number | MFCD08543443 |
| SMILES | C1CCN(CC1)C2=CC=CC(=N2)C=O |
| Synonym | 6-piperidin-1-yl picolinaldehyde,6-piperidinopyridine-2-carbaldehyde,6-piperidin-1-yl pyridine-2-carbaldehyde,2-formyl-6-piperidin-1-yl pyridine,6-piperidylpyridine-2-carbaldehyde,2-pyridinecarboxaldehyde,6-1-piperidinyl,2-pyridinecarboxaldehyde, 6-1-piperidinyl |
| IUPAC Name | 6-piperidin-1-ylpyridine-2-carbaldehyde |
| InChI Key | CFKVMXWXARUDQI-UHFFFAOYSA-N |
| Molecular Formula | C11H14N2O |
2',4'-Dihydroxyacetophenone, 98%
CAS: 89-84-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002279 InChI Key: SULYEHHGGXARJS-UHFFFAOYSA-N Synonym: 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one PubChem CID: 6990 ChEBI: CHEBI:18414 SMILES: CC(=O)C1=CC=C(O)C=C1O
| PubChem CID | 6990 |
|---|---|
| CAS | 89-84-9 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18414 |
| MDL Number | MFCD00002279 |
| SMILES | CC(=O)C1=CC=C(O)C=C1O |
| Synonym | 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one |
| InChI Key | SULYEHHGGXARJS-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4,4'-Dibromobenzil, 97%
CAS: 35578-47-3 Molecular Formula: C14H8Br2O2 MDL Number: MFCD00000104 InChI Key: NYCBYBDDECLFPE-UHFFFAOYSA-N PubChem CID: 96430
| PubChem CID | 96430 |
|---|---|
| CAS | 35578-47-3 |
| MDL Number | MFCD00000104 |
| InChI Key | NYCBYBDDECLFPE-UHFFFAOYSA-N |
| Molecular Formula | C14H8Br2O2 |
4-Acetamidoacetophenone, 98%
CAS: 2719-21-3 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.2 MDL Number: MFCD00014965 InChI Key: WECHHDJTILFYQT-UHFFFAOYSA-N Synonym: 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone PubChem CID: 75937 IUPAC Name: N-(4-acetylphenyl)acetamide SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C
| PubChem CID | 75937 |
|---|---|
| CAS | 2719-21-3 |
| Molecular Weight (g/mol) | 177.2 |
| MDL Number | MFCD00014965 |
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)C |
| Synonym | 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone |
| IUPAC Name | N-(4-acetylphenyl)acetamide |
| InChI Key | WECHHDJTILFYQT-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO2 |
3-Chloro-2-butanone, 96%
CAS: 4091-39-8 Molecular Formula: C4H7ClO Molecular Weight (g/mol): 106.549 MDL Number: MFCD00000865 InChI Key: OIMRLHCSLQUXLL-UHFFFAOYSA-N Synonym: 3-chloro-2-butanone,2-butanone, 3-chloro,3-chlorobutanone,1-acetyl-1-chloroethane,1-chloroethyl methyl ketone,2-chloro-3-butanone,2-butanone, 3-chloro-, +,chloro-mek,3-chloro-2-butanon,3-chlorobutan-2-on PubChem CID: 20026 IUPAC Name: 3-chlorobutan-2-one SMILES: CC(C(=O)C)Cl
| PubChem CID | 20026 |
|---|---|
| CAS | 4091-39-8 |
| Molecular Weight (g/mol) | 106.549 |
| MDL Number | MFCD00000865 |
| SMILES | CC(C(=O)C)Cl |
| Synonym | 3-chloro-2-butanone,2-butanone, 3-chloro,3-chlorobutanone,1-acetyl-1-chloroethane,1-chloroethyl methyl ketone,2-chloro-3-butanone,2-butanone, 3-chloro-, +,chloro-mek,3-chloro-2-butanon,3-chlorobutan-2-on |
| IUPAC Name | 3-chlorobutan-2-one |
| InChI Key | OIMRLHCSLQUXLL-UHFFFAOYSA-N |
| Molecular Formula | C4H7ClO |
2-Acetylbenzeneboronic acid, 97%
CAS: 308103-40-4 Molecular Formula: C8H9BO3 Molecular Weight (g/mol): 163.97 MDL Number: MFCD01321263 InChI Key: ZKAOVABYLXQUTI-UHFFFAOYSA-N Synonym: 2-acetylphenyl boronic acid,boronic acid, 2-acetylphenyl,2'-boronoacetophenone,1-2-boronophenyl ethan-1-one,2-acetylbenzeneboronic acid,2-acetylbenzenboronicacid,1-2-dihydroxyboranyl phenyl ethan-1-one,2-acetylphenylboronicacid,pubchem5373,acmc-1agh6 PubChem CID: 2734309 IUPAC Name: (2-acetylphenyl)boronic acid SMILES: CC(=O)C1=CC=CC=C1B(O)O
| PubChem CID | 2734309 |
|---|---|
| CAS | 308103-40-4 |
| Molecular Weight (g/mol) | 163.97 |
| MDL Number | MFCD01321263 |
| SMILES | CC(=O)C1=CC=CC=C1B(O)O |
| Synonym | 2-acetylphenyl boronic acid,boronic acid, 2-acetylphenyl,2'-boronoacetophenone,1-2-boronophenyl ethan-1-one,2-acetylbenzeneboronic acid,2-acetylbenzenboronicacid,1-2-dihydroxyboranyl phenyl ethan-1-one,2-acetylphenylboronicacid,pubchem5373,acmc-1agh6 |
| IUPAC Name | (2-acetylphenyl)boronic acid |
| InChI Key | ZKAOVABYLXQUTI-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO3 |
3-Benzylidene-2,4-pentanedione, 97%
CAS: 4335-90-4 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00014990 InChI Key: NYRGMNMVISROGJ-UHFFFAOYSA-N Synonym: 3-benzylidene-2,4-pentanedione,benzalacetylacetone,benzylidene acetylacetone,3-benzylideneacetylacetone,2,4-pentanedione, 3-phenylmethylene,1,1-diacetyl-2-phenylethylene,2,2-diacetylvinyl benzene,2-acetyl-1-phenyl but-1-en-3-one,2,4-pentanedione, 3-benzylidene,3-benzylidene acetylacetone PubChem CID: 95782 IUPAC Name: 3-benzylidenepentane-2,4-dione SMILES: CC(=O)C(=CC1=CC=CC=C1)C(C)=O
| PubChem CID | 95782 |
|---|---|
| CAS | 4335-90-4 |
| Molecular Weight (g/mol) | 188.23 |
| MDL Number | MFCD00014990 |
| SMILES | CC(=O)C(=CC1=CC=CC=C1)C(C)=O |
| Synonym | 3-benzylidene-2,4-pentanedione,benzalacetylacetone,benzylidene acetylacetone,3-benzylideneacetylacetone,2,4-pentanedione, 3-phenylmethylene,1,1-diacetyl-2-phenylethylene,2,2-diacetylvinyl benzene,2-acetyl-1-phenyl but-1-en-3-one,2,4-pentanedione, 3-benzylidene,3-benzylidene acetylacetone |
| IUPAC Name | 3-benzylidenepentane-2,4-dione |
| InChI Key | NYRGMNMVISROGJ-UHFFFAOYSA-N |
| Molecular Formula | C12H12O2 |
ethyle2-(5-bromo-2-thienyl)-2-oxoacetate, 97%, Thermo Scientific™
CAS: 22098-10-8 Molecular Formula: C8H7BrO3S Molecular Weight (g/mol): 263.105 MDL Number: MFCD00085056 InChI Key: PMBGHMBDWGNJJE-UHFFFAOYSA-N Synonym: ethyl 2-5-bromothiophen-2-yl-2-oxoacetate,ethyl 5-bromothien-2-yl glyoxylate,ethyl 2-5-bromo-2-thienyl-2-oxoacetate,ethyl 5-bromothiophene-2-glyoxylate,ethyl 5-bromo-2-thienyl glyoxylate,ethyl 2-5-bromothien-2-yl glyoxalate,ethyl 5-bromothiophen-2-yl oxo acetate,2-bromo-5-ethoxy oxo acetyl thiophene,5-bromothiophen-2-yl oxoacetic acid ethyl ester PubChem CID: 2736376 IUPAC Name: ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetate SMILES: CCOC(=O)C(=O)C1=CC=C(S1)Br
| PubChem CID | 2736376 |
|---|---|
| CAS | 22098-10-8 |
| Molecular Weight (g/mol) | 263.105 |
| MDL Number | MFCD00085056 |
| SMILES | CCOC(=O)C(=O)C1=CC=C(S1)Br |
| Synonym | ethyl 2-5-bromothiophen-2-yl-2-oxoacetate,ethyl 5-bromothien-2-yl glyoxylate,ethyl 2-5-bromo-2-thienyl-2-oxoacetate,ethyl 5-bromothiophene-2-glyoxylate,ethyl 5-bromo-2-thienyl glyoxylate,ethyl 2-5-bromothien-2-yl glyoxalate,ethyl 5-bromothiophen-2-yl oxo acetate,2-bromo-5-ethoxy oxo acetyl thiophene,5-bromothiophen-2-yl oxoacetic acid ethyl ester |
| IUPAC Name | ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetate |
| InChI Key | PMBGHMBDWGNJJE-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3S |
Thermo Scientific Chemicals Emodin, 95%, tech.
CAS: 518-82-1 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.23 MDL Number: MFCD00001207 InChI Key: RHMXXJGYXNZAPX-UHFFFAOYSA-N Synonym: emodin,schuttgelb,emodol,frangula emodin,rheum emodin,frangulic acid,3-methyl-1,6,8-trihydroxyanthraquinone,archin,persian berry lake,1,3,8-trihydroxy-6-methyl-9,10-anthraquinone PubChem CID: 3220 ChEBI: CHEBI:42223 IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O
| PubChem CID | 3220 |
|---|---|
| CAS | 518-82-1 |
| Molecular Weight (g/mol) | 270.23 |
| ChEBI | CHEBI:42223 |
| MDL Number | MFCD00001207 |
| SMILES | CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O |
| Synonym | emodin,schuttgelb,emodol,frangula emodin,rheum emodin,frangulic acid,3-methyl-1,6,8-trihydroxyanthraquinone,archin,persian berry lake,1,3,8-trihydroxy-6-methyl-9,10-anthraquinone |
| IUPAC Name | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
| InChI Key | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
4-Acetylbenzoic acid, 98+%
CAS: 586-89-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002561 InChI Key: QBHDSQZASIBAAI-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid PubChem CID: 11470 IUPAC Name: 4-acetylbenzoic acid SMILES: CC(=O)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 11470 |
|---|---|
| CAS | 586-89-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00002561 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid |
| IUPAC Name | 4-acetylbenzoic acid |
| InChI Key | QBHDSQZASIBAAI-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
4-(Bromoacetyl)pyridine hydrobromide, 98%
CAS: 5349-17-7 Molecular Formula: C7H7Br2NO Molecular Weight (g/mol): 280.947 MDL Number: MFCD02681893 InChI Key: RGALBQILADNMKA-UHFFFAOYSA-N Synonym: 4-bromoacetyl pyridine hydrobromide,2-bromo-1-pyridin-4-yl ethanone hydrobromide,2-bromo-1-4-pyridinyl-1-ethanone hydrobromide,2-bromo-1-pyridin-4-yl ethan-1-one hydrobromide,ethanone, 2-bromo-1-4-pyridinyl-, hydrobromide,4-2-bromoacetyl pyridine hydrobromide,4-bromoacetylpyridine hydrobromide,2-bromo-1-pyrdin-4-ylethan-1-one hydrobromide,2-bromo-1-4-pyridinyl-1-ethanone hbr,4-bromoacetyl pyridine hbr PubChem CID: 2776239 IUPAC Name: 2-bromo-1-pyridin-4-ylethanone;hydrobromide SMILES: C1=CN=CC=C1C(=O)CBr.Br
| PubChem CID | 2776239 |
|---|---|
| CAS | 5349-17-7 |
| Molecular Weight (g/mol) | 280.947 |
| MDL Number | MFCD02681893 |
| SMILES | C1=CN=CC=C1C(=O)CBr.Br |
| Synonym | 4-bromoacetyl pyridine hydrobromide,2-bromo-1-pyridin-4-yl ethanone hydrobromide,2-bromo-1-4-pyridinyl-1-ethanone hydrobromide,2-bromo-1-pyridin-4-yl ethan-1-one hydrobromide,ethanone, 2-bromo-1-4-pyridinyl-, hydrobromide,4-2-bromoacetyl pyridine hydrobromide,4-bromoacetylpyridine hydrobromide,2-bromo-1-pyrdin-4-ylethan-1-one hydrobromide,2-bromo-1-4-pyridinyl-1-ethanone hbr,4-bromoacetyl pyridine hbr |
| IUPAC Name | 2-bromo-1-pyridin-4-ylethanone;hydrobromide |
| InChI Key | RGALBQILADNMKA-UHFFFAOYSA-N |
| Molecular Formula | C7H7Br2NO |