Carbonyl compounds
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Bis(2,4-pentanedionato)palladium(II) 98.0+%, TCI America™
CAS: 14024-61-4 Molecular Formula: C10H14O4Pd Molecular Weight (g/mol): 304.64 MDL Number: MFCD00000025 MFCD00000025 InChI Key: JKDRQYIYVJVOPF-FDGPNNRMSA-L Synonym: palladium diacetonate,acetylacetone palladium ii salt,bis 2,4-pentanedionato palladium ii PubChem CID: 53384484 IUPAC Name: palladium(2+) bis((2Z)-4-oxopent-2-en-2-olate) SMILES: [Pd++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| PubChem CID | 53384484 |
|---|---|
| CAS | 14024-61-4 |
| Molecular Weight (g/mol) | 304.64 |
| MDL Number | MFCD00000025 MFCD00000025 |
| SMILES | [Pd++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | palladium diacetonate,acetylacetone palladium ii salt,bis 2,4-pentanedionato palladium ii |
| IUPAC Name | palladium(2+) bis((2Z)-4-oxopent-2-en-2-olate) |
| InChI Key | JKDRQYIYVJVOPF-FDGPNNRMSA-L |
| Molecular Formula | C10H14O4Pd |
2-Oxobutyric Acid 98.0+%, TCI America™
CAS: 600-18-0 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.09 MDL Number: MFCD00004164 InChI Key: TYEYBOSBBBHJIV-UHFFFAOYSA-N PubChem CID: 58 ChEBI: CHEBI:30831 IUPAC Name: 2-oxobutanoic acid SMILES: CCC(=O)C(O)=O
| PubChem CID | 58 |
|---|---|
| CAS | 600-18-0 |
| Molecular Weight (g/mol) | 102.09 |
| ChEBI | CHEBI:30831 |
| MDL Number | MFCD00004164 |
| SMILES | CCC(=O)C(O)=O |
| IUPAC Name | 2-oxobutanoic acid |
| InChI Key | TYEYBOSBBBHJIV-UHFFFAOYSA-N |
| Molecular Formula | C4H6O3 |
Benzyl Methyl Malonate 96.0+%, TCI America™
CAS: 52267-39-7 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 MDL Number: MFCD00008461 InChI Key: IAUZDBFOEWAQFE-UHFFFAOYSA-N Synonym: benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f PubChem CID: 572135 IUPAC Name: 1-benzyl 3-methyl propanedioate SMILES: COC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 572135 |
|---|---|
| CAS | 52267-39-7 |
| Molecular Weight (g/mol) | 208.21 |
| MDL Number | MFCD00008461 |
| SMILES | COC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f |
| IUPAC Name | 1-benzyl 3-methyl propanedioate |
| InChI Key | IAUZDBFOEWAQFE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |
Efavirenz 98.0+%, TCI America™
CAS: 154598-52-4 Molecular Formula: C14H9ClF3NO2 Molecular Weight (g/mol): 315.676 MDL Number: MFCD05662344 InChI Key: XPOQHMRABVBWPR-ZDUSSCGKSA-N Synonym: (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one PubChem CID: 64139 ChEBI: CHEBI:119486 IUPAC Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one SMILES: C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
| PubChem CID | 64139 |
|---|---|
| CAS | 154598-52-4 |
| Molecular Weight (g/mol) | 315.676 |
| ChEBI | CHEBI:119486 |
| MDL Number | MFCD05662344 |
| SMILES | C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F |
| Synonym | (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one |
| IUPAC Name | (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one |
| InChI Key | XPOQHMRABVBWPR-ZDUSSCGKSA-N |
| Molecular Formula | C14H9ClF3NO2 |
4,6-Diacetylresorcinol 98.0+%, TCI America™
CAS: 2161-85-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00017655 InChI Key: GEYCQLIOGQPPFM-UHFFFAOYSA-N Synonym: 4,6-diacetylresorcinol,resodiacetophenone,1,1'-4,6-dihydroxy-1,3-phenylene bisethanone,ethanone, 1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethanone,1,1'-4,6-dihydroxy-1,3-phenylene diethanone,1,3-diacetyl-4,6-dihydroxybenzene,ethanone,1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethan-1-one,1,1'-4,6-dihydroxy-1,3-phenylene-bis-ethanone PubChem CID: 75097 IUPAC Name: 1-(5-acetyl-2,4-dihydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC(C(C)=O)=C(O)C=C1O
| PubChem CID | 75097 |
|---|---|
| CAS | 2161-85-5 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00017655 |
| SMILES | CC(=O)C1=CC(C(C)=O)=C(O)C=C1O |
| Synonym | 4,6-diacetylresorcinol,resodiacetophenone,1,1'-4,6-dihydroxy-1,3-phenylene bisethanone,ethanone, 1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethanone,1,1'-4,6-dihydroxy-1,3-phenylene diethanone,1,3-diacetyl-4,6-dihydroxybenzene,ethanone,1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethan-1-one,1,1'-4,6-dihydroxy-1,3-phenylene-bis-ethanone |
| IUPAC Name | 1-(5-acetyl-2,4-dihydroxyphenyl)ethan-1-one |
| InChI Key | GEYCQLIOGQPPFM-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
5-Acetyl-2-methoxypyridine 98.0+%, TCI America™
CAS: 213193-32-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD05664350 InChI Key: RYOQZXOVBJIUSX-UHFFFAOYSA-N Synonym: 5-acetyl-2-methoxypyridine,1-6-methoxypyridin-3-yl ethanone,1-6-methoxypyridin-3-yl ethan-1-one,1-6-methoxy-3-pyridyl ethanone,ethanone, 1-6-methoxy-3-pyridinyl,3-acetyl-6-methoxypyridine,1-6-methoxy-3-pyridinyl ethanone,pubchem16770,acmc-209fj4,2-methoxy-5-acetylpyridine PubChem CID: 10534837 IUPAC Name: 1-(6-methoxypyridin-3-yl)ethanone SMILES: CC(=O)C1=CN=C(C=C1)OC
| PubChem CID | 10534837 |
|---|---|
| CAS | 213193-32-9 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD05664350 |
| SMILES | CC(=O)C1=CN=C(C=C1)OC |
| Synonym | 5-acetyl-2-methoxypyridine,1-6-methoxypyridin-3-yl ethanone,1-6-methoxypyridin-3-yl ethan-1-one,1-6-methoxy-3-pyridyl ethanone,ethanone, 1-6-methoxy-3-pyridinyl,3-acetyl-6-methoxypyridine,1-6-methoxy-3-pyridinyl ethanone,pubchem16770,acmc-209fj4,2-methoxy-5-acetylpyridine |
| IUPAC Name | 1-(6-methoxypyridin-3-yl)ethanone |
| InChI Key | RYOQZXOVBJIUSX-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
6-Bromo-3-formylchromone 97.0+%, TCI America™
CAS: 52817-12-6 Molecular Formula: C10H5BrO3 Molecular Weight (g/mol): 253.05 MDL Number: MFCD00191849 InChI Key: PCEZXSJBHMOQFT-UHFFFAOYSA-N PubChem CID: 614309 IUPAC Name: 6-bromo-4-oxo-4H-chromene-3-carbaldehyde SMILES: BrC1=CC=C2OC=C(C=O)C(=O)C2=C1
| PubChem CID | 614309 |
|---|---|
| CAS | 52817-12-6 |
| Molecular Weight (g/mol) | 253.05 |
| MDL Number | MFCD00191849 |
| SMILES | BrC1=CC=C2OC=C(C=O)C(=O)C2=C1 |
| IUPAC Name | 6-bromo-4-oxo-4H-chromene-3-carbaldehyde |
| InChI Key | PCEZXSJBHMOQFT-UHFFFAOYSA-N |
| Molecular Formula | C10H5BrO3 |
4'-tert-Butyl-4-chlorobutyrophenone 95.0+%, TCI America™
CAS: 43076-61-5 Molecular Formula: C14H19ClO Molecular Weight (g/mol): 238.755 MDL Number: MFCD00018996 InChI Key: RLKSQLJFGCDUOX-UHFFFAOYSA-N Synonym: 4'-tert-butyl-4-chlorobutyrophenone,1-4-tert-butyl phenyl-4-chlorobutan-1-one,4'-tertbutyl-4-chlorobutyrophenone,1-4-tert-butylphenyl-4-chlorobutan-1-one,acmc-209up0,dsstox_cid_31534,dsstox_rid_97419,dsstox_gsid_57745,4-chloro-1-4-1,1-dimethylethyl phenyl-1-butanone PubChem CID: 2723694 IUPAC Name: 1-(4-tert-butylphenyl)-4-chlorobutan-1-one SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl
| PubChem CID | 2723694 |
|---|---|
| CAS | 43076-61-5 |
| Molecular Weight (g/mol) | 238.755 |
| MDL Number | MFCD00018996 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl |
| Synonym | 4'-tert-butyl-4-chlorobutyrophenone,1-4-tert-butyl phenyl-4-chlorobutan-1-one,4'-tertbutyl-4-chlorobutyrophenone,1-4-tert-butylphenyl-4-chlorobutan-1-one,acmc-209up0,dsstox_cid_31534,dsstox_rid_97419,dsstox_gsid_57745,4-chloro-1-4-1,1-dimethylethyl phenyl-1-butanone |
| IUPAC Name | 1-(4-tert-butylphenyl)-4-chlorobutan-1-one |
| InChI Key | RLKSQLJFGCDUOX-UHFFFAOYSA-N |
| Molecular Formula | C14H19ClO |
4'-(Methylthio)acetophenone 98.0+%, TCI America™
CAS: 1778-09-2 Molecular Formula: C9H10OS Molecular Weight (g/mol): 166.24 MDL Number: MFCD00039835 InChI Key: JECUZQLBQKNEMW-UHFFFAOYSA-N Synonym: 4'-methylthio acetophenone,4-methylthio acetophenone,4'-methylthioacetophenone,1-4-methylsulfanyl phenyl ethanone,4-acetyl thioanisole,4'-methylmercapto acetophenone,1-4-methylthio phenyl ethanone,1-4-methylthio phenyl ethan-1-one,1-4-methylsulfanylphenyl ethanone PubChem CID: 74501 IUPAC Name: 1-[4-(methylsulfanyl)phenyl]ethan-1-one SMILES: CSC1=CC=C(C=C1)C(C)=O
| PubChem CID | 74501 |
|---|---|
| CAS | 1778-09-2 |
| Molecular Weight (g/mol) | 166.24 |
| MDL Number | MFCD00039835 |
| SMILES | CSC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methylthio acetophenone,4-methylthio acetophenone,4'-methylthioacetophenone,1-4-methylsulfanyl phenyl ethanone,4-acetyl thioanisole,4'-methylmercapto acetophenone,1-4-methylthio phenyl ethanone,1-4-methylthio phenyl ethan-1-one,1-4-methylsulfanylphenyl ethanone |
| IUPAC Name | 1-[4-(methylsulfanyl)phenyl]ethan-1-one |
| InChI Key | JECUZQLBQKNEMW-UHFFFAOYSA-N |
| Molecular Formula | C9H10OS |
2,4-Dimethoxybenzaldehyde 98.0+%, TCI America™
CAS: 613-45-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00003311 InChI Key: LWRSYTXEQUUTKW-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dimethoxy,2,4-dimethoxybenzaldehyd,2,4-dimethoxy-benzaldehyde,2,4-bis methyloxy benzaldehyde,ameba resin,pubchem8220,acmc-209mro,2,4dimethoxybenzaldehyde,argopore tm-mb-cho,2,4-dimethoxybenzaldehye PubChem CID: 69175 IUPAC Name: 2,4-dimethoxybenzaldehyde SMILES: COC1=CC(=C(C=C1)C=O)OC
| PubChem CID | 69175 |
|---|---|
| CAS | 613-45-6 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00003311 |
| SMILES | COC1=CC(=C(C=C1)C=O)OC |
| Synonym | benzaldehyde, 2,4-dimethoxy,2,4-dimethoxybenzaldehyd,2,4-dimethoxy-benzaldehyde,2,4-bis methyloxy benzaldehyde,ameba resin,pubchem8220,acmc-209mro,2,4dimethoxybenzaldehyde,argopore tm-mb-cho,2,4-dimethoxybenzaldehye |
| IUPAC Name | 2,4-dimethoxybenzaldehyde |
| InChI Key | LWRSYTXEQUUTKW-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
4'-n-Octylacetophenone 97.0+%, TCI America™
CAS: 10541-56-7 Molecular Formula: C16H24O Molecular Weight (g/mol): 232.37 MDL Number: MFCD00043682 InChI Key: GARQDIVXKVBJFP-UHFFFAOYSA-N Synonym: 1-4-octylphenyl ethanone,p-octylacetophenone,4'-n-octylacetophenone,4'-octylacetophenone,ethanone, 1-4-octylphenyl,p-n-octylacetophenone,4-n-octylacetophenone,acetophenone, 4'-octyl,1-acetyl-4-octylbenzene,p-octylaceto-phenone PubChem CID: 66344 IUPAC Name: 1-(4-octylphenyl)ethan-1-one SMILES: CCCCCCCCC1=CC=C(C=C1)C(C)=O
| PubChem CID | 66344 |
|---|---|
| CAS | 10541-56-7 |
| Molecular Weight (g/mol) | 232.37 |
| MDL Number | MFCD00043682 |
| SMILES | CCCCCCCCC1=CC=C(C=C1)C(C)=O |
| Synonym | 1-4-octylphenyl ethanone,p-octylacetophenone,4'-n-octylacetophenone,4'-octylacetophenone,ethanone, 1-4-octylphenyl,p-n-octylacetophenone,4-n-octylacetophenone,acetophenone, 4'-octyl,1-acetyl-4-octylbenzene,p-octylaceto-phenone |
| IUPAC Name | 1-(4-octylphenyl)ethan-1-one |
| InChI Key | GARQDIVXKVBJFP-UHFFFAOYSA-N |
| Molecular Formula | C16H24O |
2',3'-Dihydroxy-4'-methoxyacetophenone Hydrate 98.0+%, TCI America™
CAS: 708-53-2 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00180772 InChI Key: VCONERRCKOKCHE-UHFFFAOYSA-N PubChem CID: 12820 IUPAC Name: 1-(2,3-dihydroxy-4-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C(=C(C=C1)OC)O)O
| PubChem CID | 12820 |
|---|---|
| CAS | 708-53-2 |
| Molecular Weight (g/mol) | 182.175 |
| MDL Number | MFCD00180772 |
| SMILES | CC(=O)C1=C(C(=C(C=C1)OC)O)O |
| IUPAC Name | 1-(2,3-dihydroxy-4-methoxyphenyl)ethanone |
| InChI Key | VCONERRCKOKCHE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
5-Methyl-3-hexen-2-one (contains 5-Methyl-4-hexen-2-one), TCI America™
CAS: 5166-53-0 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.172 MDL Number: MFCD00012166 InChI Key: IYMKNYVCXUEFJE-SNAWJCMRSA-N PubChem CID: 5363140 IUPAC Name: (E)-5-methylhex-3-en-2-one SMILES: CC(C)C=CC(=O)C
| PubChem CID | 5363140 |
|---|---|
| CAS | 5166-53-0 |
| Molecular Weight (g/mol) | 112.172 |
| MDL Number | MFCD00012166 |
| SMILES | CC(C)C=CC(=O)C |
| IUPAC Name | (E)-5-methylhex-3-en-2-one |
| InChI Key | IYMKNYVCXUEFJE-SNAWJCMRSA-N |
| Molecular Formula | C7H12O |
5-Methoxy-1-indanone 98.0+%, TCI America™
CAS: 5111-70-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00003789 InChI Key: QOPRWBRNMPANKN-UHFFFAOYSA-N Synonym: 5-methoxy-1-indanone,5-methoxyindan-1-one,5-methoxy-2,3-dihydro-1h-inden-1-one,5-methoxyindanone,2,3-dihydro-5-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-5-methoxy,5-methoxy indanone,5-methoxyhydrindone,pubchem2031,1-oxo-5-methoxyindane PubChem CID: 78787 IUPAC Name: 5-methoxy-2,3-dihydroinden-1-one SMILES: COC1=CC2=C(C=C1)C(=O)CC2
| PubChem CID | 78787 |
|---|---|
| CAS | 5111-70-6 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD00003789 |
| SMILES | COC1=CC2=C(C=C1)C(=O)CC2 |
| Synonym | 5-methoxy-1-indanone,5-methoxyindan-1-one,5-methoxy-2,3-dihydro-1h-inden-1-one,5-methoxyindanone,2,3-dihydro-5-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-5-methoxy,5-methoxy indanone,5-methoxyhydrindone,pubchem2031,1-oxo-5-methoxyindane |
| IUPAC Name | 5-methoxy-2,3-dihydroinden-1-one |
| InChI Key | QOPRWBRNMPANKN-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
3-Methylthiophene-2-carboxaldehyde 85.0+%, TCI America™
CAS: 5834-16-2 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.173 MDL Number: MFCD00005430 InChI Key: BSQKBHXYEKVKMN-UHFFFAOYSA-N Synonym: 3-methyl-2-thiophenecarboxaldehyde,3-methylthiophene-2-carboxaldehyde,2-formyl-3-methylthiophene,3-methylthiophene-2-aldehyde,3-methyl-2-thiophenecarbaldehyde,3-methyl-2-formylthiophene,3-methyl-2-thiophene carboxaldehyde,2-thiophenecarboxaldehyde, 3-methyl,thiophenecarboxaldehyde, methyl,3-methyl-thiophene-2-carbaldehyde PubChem CID: 79911 IUPAC Name: 3-methylthiophene-2-carbaldehyde SMILES: CC1=C(SC=C1)C=O
| PubChem CID | 79911 |
|---|---|
| CAS | 5834-16-2 |
| Molecular Weight (g/mol) | 126.173 |
| MDL Number | MFCD00005430 |
| SMILES | CC1=C(SC=C1)C=O |
| Synonym | 3-methyl-2-thiophenecarboxaldehyde,3-methylthiophene-2-carboxaldehyde,2-formyl-3-methylthiophene,3-methylthiophene-2-aldehyde,3-methyl-2-thiophenecarbaldehyde,3-methyl-2-formylthiophene,3-methyl-2-thiophene carboxaldehyde,2-thiophenecarboxaldehyde, 3-methyl,thiophenecarboxaldehyde, methyl,3-methyl-thiophene-2-carbaldehyde |
| IUPAC Name | 3-methylthiophene-2-carbaldehyde |
| InChI Key | BSQKBHXYEKVKMN-UHFFFAOYSA-N |
| Molecular Formula | C6H6OS |