Carbonyl compounds
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Di-2-pyridyl ketone, 98%
CAS: 19437-26-4 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.2 MDL Number: MFCD00006288 InChI Key: QPOWUYJWCJRLEE-UHFFFAOYSA-N Synonym: di-2-pyridyl ketone,di pyridin-2-yl methanone,bis 2-pyridyl ketone,2,2'-carbonyldipyridine,di 2-pyridyl ketone,methanone, di-2-pyridinyl,2,2'-dipyridyl ketone,2-pyridine-2-carbonyl pyridine,pyridyl ketone PubChem CID: 88065 IUPAC Name: dipyridin-2-ylmethanone SMILES: C1=CC=NC(=C1)C(=O)C2=CC=CC=N2
| PubChem CID | 88065 |
|---|---|
| CAS | 19437-26-4 |
| Molecular Weight (g/mol) | 184.2 |
| MDL Number | MFCD00006288 |
| SMILES | C1=CC=NC(=C1)C(=O)C2=CC=CC=N2 |
| Synonym | di-2-pyridyl ketone,di pyridin-2-yl methanone,bis 2-pyridyl ketone,2,2'-carbonyldipyridine,di 2-pyridyl ketone,methanone, di-2-pyridinyl,2,2'-dipyridyl ketone,2-pyridine-2-carbonyl pyridine,pyridyl ketone |
| IUPAC Name | dipyridin-2-ylmethanone |
| InChI Key | QPOWUYJWCJRLEE-UHFFFAOYSA-N |
| Molecular Formula | C11H8N2O |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde, 97%, Thermo Scientific™
CAS: 879896-54-5 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.186 MDL Number: MFCD09702359 InChI Key: FPQLUUWDLSUKNS-UHFFFAOYSA-N Synonym: 2-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,2-3-methyl-1,2,4-oxadiazol-5-yl,5-2-formylphenyl-3-methyl-1,2,4-oxadiazole PubChem CID: 24229502 IUPAC Name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde SMILES: CC1=NOC(=N1)C2=CC=CC=C2C=O
| PubChem CID | 24229502 |
|---|---|
| CAS | 879896-54-5 |
| Molecular Weight (g/mol) | 188.186 |
| MDL Number | MFCD09702359 |
| SMILES | CC1=NOC(=N1)C2=CC=CC=C2C=O |
| Synonym | 2-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,2-3-methyl-1,2,4-oxadiazol-5-yl,5-2-formylphenyl-3-methyl-1,2,4-oxadiazole |
| IUPAC Name | 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
| InChI Key | FPQLUUWDLSUKNS-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
3-Furaldehyde, 98%, stabilized
CAS: 498-60-2 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.08 InChI Key: AZVSIHIBYRHSLB-UHFFFAOYSA-N Synonym: 3-furaldehyde,3-furancarboxaldehyde,furan-3-carboxaldehyde,3-formylfuran,3-furfural,unii-pob632x444,3furaldehyde,3-furancarbaldehyde,pubchem6948 PubChem CID: 10351 ChEBI: CHEBI:87609 IUPAC Name: furan-3-carbaldehyde SMILES: C1=COC=C1C=O
| PubChem CID | 10351 |
|---|---|
| CAS | 498-60-2 |
| Molecular Weight (g/mol) | 96.08 |
| ChEBI | CHEBI:87609 |
| SMILES | C1=COC=C1C=O |
| Synonym | 3-furaldehyde,3-furancarboxaldehyde,furan-3-carboxaldehyde,3-formylfuran,3-furfural,unii-pob632x444,3furaldehyde,3-furancarbaldehyde,pubchem6948 |
| IUPAC Name | furan-3-carbaldehyde |
| InChI Key | AZVSIHIBYRHSLB-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2 |
5-Chloro-2-hydroxy-3-methylbenzaldehyde, 95%, Thermo Scientific™
CAS: 23602-63-3 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00275687 InChI Key: NSKZAOKQZDLHGO-UHFFFAOYSA-N Synonym: benzaldehyde, 5-chloro-2-hydroxy-3-methyl,acmc-20am4p,2-hydroxy-3-methyl-5-chlorobenzaldehyde,5-chloro-2-hydroxy-3-methyl-benzaldehyde PubChem CID: 2774358 IUPAC Name: 5-chloro-2-hydroxy-3-methylbenzaldehyde SMILES: CC1=C(C(=CC(=C1)Cl)C=O)O
| PubChem CID | 2774358 |
|---|---|
| CAS | 23602-63-3 |
| Molecular Weight (g/mol) | 170.592 |
| MDL Number | MFCD00275687 |
| SMILES | CC1=C(C(=CC(=C1)Cl)C=O)O |
| Synonym | benzaldehyde, 5-chloro-2-hydroxy-3-methyl,acmc-20am4p,2-hydroxy-3-methyl-5-chlorobenzaldehyde,5-chloro-2-hydroxy-3-methyl-benzaldehyde |
| IUPAC Name | 5-chloro-2-hydroxy-3-methylbenzaldehyde |
| InChI Key | NSKZAOKQZDLHGO-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
2,2',4'-Trichloroacetophenone, 97%
CAS: 4252-78-2 Molecular Formula: C8H5Cl3O Molecular Weight (g/mol): 223.477 MDL Number: MFCD00000934 InChI Key: VYWPPRLJNVHPEU-UHFFFAOYSA-N Synonym: 2,2',4'-trichloroacetophenone,2-chloro-1-2,4-dichlorophenyl ethanone,2,4-dichlorophenacyl chloride,unii-2e35p7hji2,2-chloro-1-2,4-dichlorophenyl ethan-1-one,ccris 633,ethanone, 2-chloro-1-2,4-dichlorophenyl,2,2,4-trichloroacetophenone,dsstox_cid_6190,1-2,4-dichlorophenyl-2-chloroethan-1-one PubChem CID: 20250 IUPAC Name: 2-chloro-1-(2,4-dichlorophenyl)ethanone SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)CCl
| PubChem CID | 20250 |
|---|---|
| CAS | 4252-78-2 |
| Molecular Weight (g/mol) | 223.477 |
| MDL Number | MFCD00000934 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)CCl |
| Synonym | 2,2',4'-trichloroacetophenone,2-chloro-1-2,4-dichlorophenyl ethanone,2,4-dichlorophenacyl chloride,unii-2e35p7hji2,2-chloro-1-2,4-dichlorophenyl ethan-1-one,ccris 633,ethanone, 2-chloro-1-2,4-dichlorophenyl,2,2,4-trichloroacetophenone,dsstox_cid_6190,1-2,4-dichlorophenyl-2-chloroethan-1-one |
| IUPAC Name | 2-chloro-1-(2,4-dichlorophenyl)ethanone |
| InChI Key | VYWPPRLJNVHPEU-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl3O |
2-Formylthiophene-4-boronic acid, 98%, Thermo Scientific™
CAS: 175592-59-3 Molecular Formula: C5H5BO3S Molecular Weight (g/mol): 155.962 MDL Number: MFCD03002365 InChI Key: ZCUFJAORCNFWOF-UHFFFAOYSA-N Synonym: 2-formylthiophene-4-boronic acid,5-formylthiophen-3-yl boronic acid,5-formylthiophene-3-boronic acid,5-formyl-3-thienyl boronic acid,4-borono-2-formylthiophene,5-formylthiophen-3-boronic acid,5-formyl-3-thienylboronic acid,5-formyl-3-thiopheneboronic acid,4-boronothiophene-2-carboxaldehyde,2-formyl-4-thiopheneboronic acid PubChem CID: 11084115 IUPAC Name: (5-formylthiophen-3-yl)boronic acid SMILES: B(C1=CSC(=C1)C=O)(O)O
| PubChem CID | 11084115 |
|---|---|
| CAS | 175592-59-3 |
| Molecular Weight (g/mol) | 155.962 |
| MDL Number | MFCD03002365 |
| SMILES | B(C1=CSC(=C1)C=O)(O)O |
| Synonym | 2-formylthiophene-4-boronic acid,5-formylthiophen-3-yl boronic acid,5-formylthiophene-3-boronic acid,5-formyl-3-thienyl boronic acid,4-borono-2-formylthiophene,5-formylthiophen-3-boronic acid,5-formyl-3-thienylboronic acid,5-formyl-3-thiopheneboronic acid,4-boronothiophene-2-carboxaldehyde,2-formyl-4-thiopheneboronic acid |
| IUPAC Name | (5-formylthiophen-3-yl)boronic acid |
| InChI Key | ZCUFJAORCNFWOF-UHFFFAOYSA-N |
| Molecular Formula | C5H5BO3S |
Ethyl 2-methylacetoacetate, 95%
CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C
| PubChem CID | 701 |
|---|---|
| CAS | 609-14-3 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009164 |
| SMILES | CCOC(=O)C(C)C(=O)C |
| Synonym | ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester |
| IUPAC Name | ethyl 2-methyl-3-oxobutanoate |
| InChI Key | FNENWZWNOPCZGK-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Methyl hydrogen malonate, 96%
CAS: 16695-14-0 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.088 MDL Number: MFCD00667796 InChI Key: PBVZQAXFSQKDKK-UHFFFAOYSA-N Synonym: methyl hydrogen malonate,malonic acid monomethyl ester,3-methoxy-3-oxo-propanoic acid,1-methyl malonate,hydrogen methyl malonate PubChem CID: 538366 IUPAC Name: 3-methoxy-3-oxopropanoic acid SMILES: COC(=O)CC(=O)O
| PubChem CID | 538366 |
|---|---|
| CAS | 16695-14-0 |
| Molecular Weight (g/mol) | 118.088 |
| MDL Number | MFCD00667796 |
| SMILES | COC(=O)CC(=O)O |
| Synonym | methyl hydrogen malonate,malonic acid monomethyl ester,3-methoxy-3-oxo-propanoic acid,1-methyl malonate,hydrogen methyl malonate |
| IUPAC Name | 3-methoxy-3-oxopropanoic acid |
| InChI Key | PBVZQAXFSQKDKK-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4 |
Acebutolol hydrochloride
CAS: 34381-68-5 Molecular Formula: C18H29ClN2O4 Molecular Weight (g/mol): 372.89 MDL Number: MFCD00078860 InChI Key: KTUFKADDDORSSI-UHFFFAOYNA-N Synonym: acebutolol hydrochloride,acebutolol hcl,n-3-acetyl-4-2-hydroxy-3-isopropylamino propoxy phenyl butyramide hydrochloride,diasectral,wesfalin,3'-acetyl-4'-2-hydroxy-3-isopropylamino propoxy butyranilide hydrochloride,dl-1-2-acetyl-4-butyramidophenoxy-2-hydroxy-3-isopropylaminopropane hydrochloride,ccris 1102,sectral tn PubChem CID: 441307 ChEBI: CHEBI:2380 IUPAC Name: hydrogen N-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanamide chloride SMILES: [H+].[Cl-].CCCC(=O)NC1=CC=C(OCC(O)CNC(C)C)C(=C1)C(C)=O
| PubChem CID | 441307 |
|---|---|
| CAS | 34381-68-5 |
| Molecular Weight (g/mol) | 372.89 |
| ChEBI | CHEBI:2380 |
| MDL Number | MFCD00078860 |
| SMILES | [H+].[Cl-].CCCC(=O)NC1=CC=C(OCC(O)CNC(C)C)C(=C1)C(C)=O |
| Synonym | acebutolol hydrochloride,acebutolol hcl,n-3-acetyl-4-2-hydroxy-3-isopropylamino propoxy phenyl butyramide hydrochloride,diasectral,wesfalin,3'-acetyl-4'-2-hydroxy-3-isopropylamino propoxy butyranilide hydrochloride,dl-1-2-acetyl-4-butyramidophenoxy-2-hydroxy-3-isopropylaminopropane hydrochloride,ccris 1102,sectral tn |
| IUPAC Name | hydrogen N-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanamide chloride |
| InChI Key | KTUFKADDDORSSI-UHFFFAOYNA-N |
| Molecular Formula | C18H29ClN2O4 |
2-Furancarboxyaldehyde, ACS, 98%, Spectrum™ Chemical
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2-Aminoacetophenone hydrochloride, 97%
CAS: 5468-37-1 Molecular Formula: C8H10ClNO Molecular Weight (g/mol): 171.62 MDL Number: MFCD00012873 InChI Key: CVXGFPPAIUELDV-UHFFFAOYSA-N Synonym: 2-aminoacetophenone hydrochloride,2-amino-1-phenylethanone hydrochloride,phenacylamine hydrochloride,2-aminoacetophenone hcl,2-aminoacetophenonehydrochloride,2-amino-1-phenylethan-1-one hydrochloride,alpha-aminoacetophenone hydrochloride,2-aminoacetophenonehcl,ethanone, 2-amino-1-phenyl-, hydrochloride,omega-aminoacetophenone hydrochloride PubChem CID: 2723597 IUPAC Name: 2-amino-1-phenylethanone;hydrochloride SMILES: Cl.NCC(=O)C1=CC=CC=C1
| PubChem CID | 2723597 |
|---|---|
| CAS | 5468-37-1 |
| Molecular Weight (g/mol) | 171.62 |
| MDL Number | MFCD00012873 |
| SMILES | Cl.NCC(=O)C1=CC=CC=C1 |
| Synonym | 2-aminoacetophenone hydrochloride,2-amino-1-phenylethanone hydrochloride,phenacylamine hydrochloride,2-aminoacetophenone hcl,2-aminoacetophenonehydrochloride,2-amino-1-phenylethan-1-one hydrochloride,alpha-aminoacetophenone hydrochloride,2-aminoacetophenonehcl,ethanone, 2-amino-1-phenyl-, hydrochloride,omega-aminoacetophenone hydrochloride |
| IUPAC Name | 2-amino-1-phenylethanone;hydrochloride |
| InChI Key | CVXGFPPAIUELDV-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO |
2,4-Pentanedione, Reagent, 99%, Spectrum™ Chemical
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CAS: 123-54-6 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00008787 InChI Key: YRKCREAYFQTBPV-UHFFFAOYSA-N IUPAC Name: pentane-2,4-dione SMILES: CC(=O)CC(C)=O
| CAS | 123-54-6 |
|---|---|
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00008787 |
| SMILES | CC(=O)CC(C)=O |
| IUPAC Name | pentane-2,4-dione |
| InChI Key | YRKCREAYFQTBPV-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
4'-Hydroxy-3'-methylacetophenone, 98%
CAS: 876-02-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002231 InChI Key: LXBHHIZIQVZGFN-UHFFFAOYSA-N Synonym: 4'-hydroxy-3'-methylacetophenone,4-hydroxy-3-methylacetophenone,1-4-hydroxy-3-methylphenyl ethanone,1-4-hydroxy-3-methylphenyl ethan-1-one,4-acetyl-2-methylphenol,ethanone, 1-4-hydroxy-3-methylphenyl,4-hydroxy-3-methyl acetophenone,1-4-hydroxy-3-methyl-phenyl-ethanone,1-acetyl-4-hydroxy-3-methylbenzene PubChem CID: 70135 SMILES: CC(=O)C1=CC=C(O)C(C)=C1
| PubChem CID | 70135 |
|---|---|
| CAS | 876-02-8 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00002231 |
| SMILES | CC(=O)C1=CC=C(O)C(C)=C1 |
| Synonym | 4'-hydroxy-3'-methylacetophenone,4-hydroxy-3-methylacetophenone,1-4-hydroxy-3-methylphenyl ethanone,1-4-hydroxy-3-methylphenyl ethan-1-one,4-acetyl-2-methylphenol,ethanone, 1-4-hydroxy-3-methylphenyl,4-hydroxy-3-methyl acetophenone,1-4-hydroxy-3-methyl-phenyl-ethanone,1-acetyl-4-hydroxy-3-methylbenzene |
| InChI Key | LXBHHIZIQVZGFN-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Benzbromarone, 98%
CAS: 3562-84-3 Molecular Formula: C17H12Br2O3 Molecular Weight (g/mol): 424.08 InChI Key: WHQCHUCQKNIQEC-UHFFFAOYSA-N Synonym: benzbromarone,benzbromaron,desuric,urinorm,normurat,uricovac,minuric,exurate,hipurik,azubromaron PubChem CID: 2333 ChEBI: CHEBI:3023 IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br
| PubChem CID | 2333 |
|---|---|
| CAS | 3562-84-3 |
| Molecular Weight (g/mol) | 424.08 |
| ChEBI | CHEBI:3023 |
| SMILES | CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br |
| Synonym | benzbromarone,benzbromaron,desuric,urinorm,normurat,uricovac,minuric,exurate,hipurik,azubromaron |
| IUPAC Name | (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone |
| InChI Key | WHQCHUCQKNIQEC-UHFFFAOYSA-N |
| Molecular Formula | C17H12Br2O3 |
3',4'-Dimethoxyacetophenone, 98%
CAS: 1131-62-0 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00008737 InChI Key: IQZLUWLMQNGTIW-UHFFFAOYSA-N Synonym: 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy PubChem CID: 14328 ChEBI: CHEBI:86576 IUPAC Name: 1-(3,4-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OC)OC
| PubChem CID | 14328 |
|---|---|
| CAS | 1131-62-0 |
| Molecular Weight (g/mol) | 180.2 |
| ChEBI | CHEBI:86576 |
| MDL Number | MFCD00008737 |
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)OC |
| Synonym | 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy |
| IUPAC Name | 1-(3,4-dimethoxyphenyl)ethanone |
| InChI Key | IQZLUWLMQNGTIW-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |