Carbonyl compounds
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Diethyl allylmalonate, 96%
CAS: 2049-80-1 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 MDL Number: MFCD00009155 InChI Key: GDWAYKGILJJNBB-UHFFFAOYSA-N Synonym: diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid PubChem CID: 74900 IUPAC Name: diethyl 2-prop-2-enylpropanedioate SMILES: CCOC(=O)C(CC=C)C(=O)OCC
| PubChem CID | 74900 |
|---|---|
| CAS | 2049-80-1 |
| Molecular Weight (g/mol) | 200.234 |
| MDL Number | MFCD00009155 |
| SMILES | CCOC(=O)C(CC=C)C(=O)OCC |
| Synonym | diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid |
| IUPAC Name | diethyl 2-prop-2-enylpropanedioate |
| InChI Key | GDWAYKGILJJNBB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
4-Hydroxy-2-methoxybenzaldehyde, 98%
CAS: 18278-34-7 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00051964 InChI Key: WBIZZNFQJPOKDK-UHFFFAOYSA-N Synonym: 4-hydroxy-o-anisaldehyde,benzaldehyde, 4-hydroxy-2-methoxy,4-hydroxyl-2-methoxyl benzaldehyde,4-formyl-3-methoxyphenol,2-formyl-5-hydroxyanisole,4-hydroxy-2-methoxybenaldehyde,4-hydroxy-2-methoxybenzaldehdye,pubchem8130,acmc-209eju,argogel-mb-cho PubChem CID: 519541 IUPAC Name: 4-hydroxy-2-methoxybenzaldehyde SMILES: COC1=CC(O)=CC=C1C=O
| PubChem CID | 519541 |
|---|---|
| CAS | 18278-34-7 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00051964 |
| SMILES | COC1=CC(O)=CC=C1C=O |
| Synonym | 4-hydroxy-o-anisaldehyde,benzaldehyde, 4-hydroxy-2-methoxy,4-hydroxyl-2-methoxyl benzaldehyde,4-formyl-3-methoxyphenol,2-formyl-5-hydroxyanisole,4-hydroxy-2-methoxybenaldehyde,4-hydroxy-2-methoxybenzaldehdye,pubchem8130,acmc-209eju,argogel-mb-cho |
| IUPAC Name | 4-hydroxy-2-methoxybenzaldehyde |
| InChI Key | WBIZZNFQJPOKDK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
β-D-(-)-Fructose, Powder, MP Biomedicals™
CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 5984 |
|---|---|
| CAS | 57-48-7 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:48095 |
| MDL Number | MFCD00148910 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| Synonym | d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 |
| IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| Molecular Formula | C6H12O6 |
3-Phenylpropionaldehyde, 95%
CAS: 104-53-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00007021 InChI Key: YGCZTXZTJXYWCO-UHFFFAOYSA-N Synonym: benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl PubChem CID: 7707 IUPAC Name: 3-phenylpropanal SMILES: C1=CC=C(C=C1)CCC=O
| PubChem CID | 7707 |
|---|---|
| CAS | 104-53-0 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00007021 |
| SMILES | C1=CC=C(C=C1)CCC=O |
| Synonym | benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl |
| IUPAC Name | 3-phenylpropanal |
| InChI Key | YGCZTXZTJXYWCO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
4'-Acetamido-2'-methylacetophenone, 97%
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 |
Ethyl 4-nitrobenzoylacetate, 97%
CAS: 838-57-3 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.211 MDL Number: MFCD00007357 InChI Key: NGRXSVFCLHVGKU-UHFFFAOYSA-N Synonym: ethyl 4-nitrobenzoylacetate,ethyl 3-4-nitrophenyl-3-oxopropanoate,ethyl p-nitrobenzoyl acetate,ethyl 4-nitrobenzoyl acetate,p-nitrobenzoyl acetic acid ethyl ester,ethyl p-nitrobenzoylacetate,4-nitrobenzoylacetic acid ethyl ester,ethyl 4-nitro-beta-oxobenzenepropanoate,4-nitrobenzoyl acetic acid ethyl ester,benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester PubChem CID: 13281 IUPAC Name: ethyl 3-(4-nitrophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 13281 |
|---|---|
| CAS | 838-57-3 |
| Molecular Weight (g/mol) | 237.211 |
| MDL Number | MFCD00007357 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | ethyl 4-nitrobenzoylacetate,ethyl 3-4-nitrophenyl-3-oxopropanoate,ethyl p-nitrobenzoyl acetate,ethyl 4-nitrobenzoyl acetate,p-nitrobenzoyl acetic acid ethyl ester,ethyl p-nitrobenzoylacetate,4-nitrobenzoylacetic acid ethyl ester,ethyl 4-nitro-beta-oxobenzenepropanoate,4-nitrobenzoyl acetic acid ethyl ester,benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester |
| IUPAC Name | ethyl 3-(4-nitrophenyl)-3-oxopropanoate |
| InChI Key | NGRXSVFCLHVGKU-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO5 |
1-(3-Chloro-2-hydroxyphenyl)ethan-1-one, 97%, Thermo Scientific™
CAS: 3226-34-4 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00100492 InChI Key: GBWVDQBTXFIIJF-UHFFFAOYSA-N Synonym: 1-3-chloro-2-hydroxyphenyl ethanone,1-3-chloro-2-hydroxyphenyl ethan-1-one,3'-chloro-2'-hydroxyacetophenone,ethanone,1-3-chloro-2-hydroxyphenyl,2'-hydroxy-3'-chloroacetophenone,2'-hydroxy-3'-chloro acetophenone,1-3-chloro-2-hydroxyphenyl-ethanone,1-3-chloro-2-hydroxy-phenyl-ethanone,1-3-chloro-2-hydroxyphenyl ethanone #,2 inverted exclamation mark-hydroxy-3-chloroacetophenone PubChem CID: 593414 IUPAC Name: 1-(3-chloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C(Cl)=CC=C1
| PubChem CID | 593414 |
|---|---|
| CAS | 3226-34-4 |
| Molecular Weight (g/mol) | 170.59 |
| MDL Number | MFCD00100492 |
| SMILES | CC(=O)C1=C(O)C(Cl)=CC=C1 |
| Synonym | 1-3-chloro-2-hydroxyphenyl ethanone,1-3-chloro-2-hydroxyphenyl ethan-1-one,3'-chloro-2'-hydroxyacetophenone,ethanone,1-3-chloro-2-hydroxyphenyl,2'-hydroxy-3'-chloroacetophenone,2'-hydroxy-3'-chloro acetophenone,1-3-chloro-2-hydroxyphenyl-ethanone,1-3-chloro-2-hydroxy-phenyl-ethanone,1-3-chloro-2-hydroxyphenyl ethanone #,2 inverted exclamation mark-hydroxy-3-chloroacetophenone |
| IUPAC Name | 1-(3-chloro-2-hydroxyphenyl)ethanone |
| InChI Key | GBWVDQBTXFIIJF-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile, Thermo Scientific™
CAS: 175136-65-9 Molecular Formula: C10H8BrNO2 Molecular Weight (g/mol): 254.083 InChI Key: NVZISNDFOXXQSQ-UHFFFAOYSA-N Synonym: 3-2-bromo-5-methoxyphenyl-3-oxopropanenitrile,maybridge1_002847,3-2-bromo-5-methoxy-phenyl-3-oxo-propanenitrile PubChem CID: 2804251 IUPAC Name: 3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile SMILES: COC1=CC(=C(C=C1)Br)C(=O)CC#N
| PubChem CID | 2804251 |
|---|---|
| CAS | 175136-65-9 |
| Molecular Weight (g/mol) | 254.083 |
| SMILES | COC1=CC(=C(C=C1)Br)C(=O)CC#N |
| Synonym | 3-2-bromo-5-methoxyphenyl-3-oxopropanenitrile,maybridge1_002847,3-2-bromo-5-methoxy-phenyl-3-oxo-propanenitrile |
| IUPAC Name | 3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile |
| InChI Key | NVZISNDFOXXQSQ-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrNO2 |
Thermo Scientific Chemicals D(+)-Melibiose monohydrate, 99+%
CAS: 66009-10-7 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.31 MDL Number: MFCD00198188 InChI Key: CHIDEFLSUMQFBY-UHFFFAOYNA-N Synonym: d +-melibiose monohydrate,d-+-melibiose hydrate,585-99-9 anhydrous,melibiose hplc,6-,a-d-galactopyranosyl-d-glucopyranose,6-o-a-d-galactopyranosyl-d-glucopyranose hydrate,6-o-a-d-galactopyranosyl-d-glucose monohydrate,6-o-a-d-galactopyranosyl-d-glucopyranose monohydrate,6-o-alpha-d-galactopyranosyl-d-glucose monohydrate,d-glucose, 6-o-a-d-galactopyranosyl-, monohydrate 9ci PubChem CID: 71308738 IUPAC Name: (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;hydrate SMILES: O.OCC1OC(OCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C1O
| PubChem CID | 71308738 |
|---|---|
| CAS | 66009-10-7 |
| Molecular Weight (g/mol) | 360.31 |
| MDL Number | MFCD00198188 |
| SMILES | O.OCC1OC(OCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C1O |
| Synonym | d +-melibiose monohydrate,d-+-melibiose hydrate,585-99-9 anhydrous,melibiose hplc,6-,a-d-galactopyranosyl-d-glucopyranose,6-o-a-d-galactopyranosyl-d-glucopyranose hydrate,6-o-a-d-galactopyranosyl-d-glucose monohydrate,6-o-a-d-galactopyranosyl-d-glucopyranose monohydrate,6-o-alpha-d-galactopyranosyl-d-glucose monohydrate,d-glucose, 6-o-a-d-galactopyranosyl-, monohydrate 9ci |
| IUPAC Name | (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;hydrate |
| InChI Key | CHIDEFLSUMQFBY-UHFFFAOYNA-N |
| Molecular Formula | C12H24O12 |
2-Cyclopentyloxypyridine-5-carboxaldehyde, 98%, Thermo Scientific Chemicals
CAS: 916792-14-8 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD08060943 InChI Key: NQJPWJIUEZZENP-UHFFFAOYSA-N Synonym: 2-cyclopentyloxypyridine-5-carboxaldehyde,6-cyclopentyloxy nicotinaldehyde,6-cyclopentyloxy pyridine-3-carbaldehyde,6-cyclopentyl-oxy pyridine-3-carbaldehyde,6-cyclopentyloxypyridine-3-carboxaldehyde PubChem CID: 42553151 IUPAC Name: 6-cyclopentyloxypyridine-3-carbaldehyde SMILES: C1CCC(C1)OC2=NC=C(C=C2)C=O
| PubChem CID | 42553151 |
|---|---|
| CAS | 916792-14-8 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD08060943 |
| SMILES | C1CCC(C1)OC2=NC=C(C=C2)C=O |
| Synonym | 2-cyclopentyloxypyridine-5-carboxaldehyde,6-cyclopentyloxy nicotinaldehyde,6-cyclopentyloxy pyridine-3-carbaldehyde,6-cyclopentyl-oxy pyridine-3-carbaldehyde,6-cyclopentyloxypyridine-3-carboxaldehyde |
| IUPAC Name | 6-cyclopentyloxypyridine-3-carbaldehyde |
| InChI Key | NQJPWJIUEZZENP-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO2 |
Methacrolein, 90%, stabilized
CAS: 78-85-3 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00006974 InChI Key: STNJBCKSHOAVAJ-UHFFFAOYSA-N Synonym: methacrolein,methacrylaldehyde,2-propenal, 2-methyl,isobutenal,2-methylacrolein,2-methylpropenal,2-methyl-2-propenal,methylacrylaldehyde,2-methylenepropanal,methacrylic aldehyde PubChem CID: 6562 IUPAC Name: 2-methylprop-2-enal SMILES: CC(=C)C=O
| PubChem CID | 6562 |
|---|---|
| CAS | 78-85-3 |
| Molecular Weight (g/mol) | 70.09 |
| MDL Number | MFCD00006974 |
| SMILES | CC(=C)C=O |
| Synonym | methacrolein,methacrylaldehyde,2-propenal, 2-methyl,isobutenal,2-methylacrolein,2-methylpropenal,2-methyl-2-propenal,methylacrylaldehyde,2-methylenepropanal,methacrylic aldehyde |
| IUPAC Name | 2-methylprop-2-enal |
| InChI Key | STNJBCKSHOAVAJ-UHFFFAOYSA-N |
| Molecular Formula | C4H6O |
2,2'-Dichlorobenzil, 98+%
CAS: 21854-95-5 Molecular Formula: C14H8Cl2O2 Molecular Weight (g/mol): 279.116 MDL Number: MFCD00018263 InChI Key: VOSNNSVWVJFJCR-UHFFFAOYSA-N Synonym: 2,2'-dichlorobenzil,1,2-bis 2-chlorophenyl ethane-1,2-dione,ethanedione, bis 2-chlorophenyl,2,2'-dichlorodibenzoyl,benzil, 2,2'-dichloro,1,2-ethanedione, 1,2-bis 2-chlorophenyl,bis 2-chlorophenyl ethane-1,2-dione,benzil,2'-dichloro,2,2/'-dichlorobenzil,acmc-20aok0 PubChem CID: 89076 IUPAC Name: 1,2-bis(2-chlorophenyl)ethane-1,2-dione SMILES: C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl
| PubChem CID | 89076 |
|---|---|
| CAS | 21854-95-5 |
| Molecular Weight (g/mol) | 279.116 |
| MDL Number | MFCD00018263 |
| SMILES | C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl |
| Synonym | 2,2'-dichlorobenzil,1,2-bis 2-chlorophenyl ethane-1,2-dione,ethanedione, bis 2-chlorophenyl,2,2'-dichlorodibenzoyl,benzil, 2,2'-dichloro,1,2-ethanedione, 1,2-bis 2-chlorophenyl,bis 2-chlorophenyl ethane-1,2-dione,benzil,2'-dichloro,2,2/'-dichlorobenzil,acmc-20aok0 |
| IUPAC Name | 1,2-bis(2-chlorophenyl)ethane-1,2-dione |
| InChI Key | VOSNNSVWVJFJCR-UHFFFAOYSA-N |
| Molecular Formula | C14H8Cl2O2 |
3,4-Hexanedione, 94%
CAS: 4437-51-8 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00010237 InChI Key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N Synonym: 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd PubChem CID: 62539 IUPAC Name: hexane-3,4-dione SMILES: CCC(=O)C(=O)CC
| PubChem CID | 62539 |
|---|---|
| CAS | 4437-51-8 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00010237 |
| SMILES | CCC(=O)C(=O)CC |
| Synonym | 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd |
| IUPAC Name | hexane-3,4-dione |
| InChI Key | KVFQMAZOBTXCAZ-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
alpha-Hydroxyacetophenone, 97%
CAS: 582-24-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00041829 InChI Key: ZWVHTXAYIKBMEE-UHFFFAOYSA-N Synonym: 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy PubChem CID: 68490 ChEBI: CHEBI:28341 IUPAC Name: 2-hydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CO
| PubChem CID | 68490 |
|---|---|
| CAS | 582-24-1 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28341 |
| MDL Number | MFCD00041829 |
| SMILES | C1=CC=C(C=C1)C(=O)CO |
| Synonym | 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy |
| IUPAC Name | 2-hydroxy-1-phenylethanone |
| InChI Key | ZWVHTXAYIKBMEE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |