Organooxygen compounds
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1-Phenacylpyridinium Bromide 98.0+%, TCI America™
CAS: 16883-69-5 Molecular Formula: C13H12BrNO Molecular Weight (g/mol): 278.149 MDL Number: MFCD00031995 InChI Key: PXSUMUYPXZEXDT-UHFFFAOYSA-M Synonym: 1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide PubChem CID: 2798954 IUPAC Name: 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-]
| PubChem CID | 2798954 |
|---|---|
| CAS | 16883-69-5 |
| Molecular Weight (g/mol) | 278.149 |
| MDL Number | MFCD00031995 |
| SMILES | C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-] |
| Synonym | 1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide |
| IUPAC Name | 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide |
| InChI Key | PXSUMUYPXZEXDT-UHFFFAOYSA-M |
| Molecular Formula | C13H12BrNO |
Diethyl Benzoylmalonate 97.0+%, TCI America™
CAS: 1087-97-4 Molecular Formula: C14H16O5 Molecular Weight (g/mol): 264.277 MDL Number: MFCD00059381 InChI Key: RIQBATDJIKIMBM-UHFFFAOYSA-N Synonym: Benzoylmalonic Acid Diethyl Ester PubChem CID: 569310 IUPAC Name: diethyl 2-benzoylpropanedioate SMILES: CCOC(=O)C(C(=O)C1=CC=CC=C1)C(=O)OCC
| PubChem CID | 569310 |
|---|---|
| CAS | 1087-97-4 |
| Molecular Weight (g/mol) | 264.277 |
| MDL Number | MFCD00059381 |
| SMILES | CCOC(=O)C(C(=O)C1=CC=CC=C1)C(=O)OCC |
| Synonym | Benzoylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-benzoylpropanedioate |
| InChI Key | RIQBATDJIKIMBM-UHFFFAOYSA-N |
| Molecular Formula | C14H16O5 |
3'-(Trifluoromethyl)acetophenone 97.0+%, TCI America™
CAS: 349-76-8 Molecular Formula: C9H7F3O Molecular Weight (g/mol): 188.149 MDL Number: MFCD00000391 InChI Key: ABXGMGUHGLQMAW-UHFFFAOYSA-N Synonym: 3'-trifluoromethyl acetophenone,3-trifluoromethyl acetophenone,3-trifluoromethylacetophenone,ethanone, 1-3-trifluoromethyl phenyl,1-3-trifluoromethyl phenyl ethanone,m-trifluoromethylacetophenone,3'-trifluoromethylacetophenone,1-3-trifluoromethyl phenyl ethan-1-one,1-3-trifluoromethyl-phenyl-ethanone PubChem CID: 67682 IUPAC Name: 1-[3-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC(=CC=C1)C(F)(F)F
| PubChem CID | 67682 |
|---|---|
| CAS | 349-76-8 |
| Molecular Weight (g/mol) | 188.149 |
| MDL Number | MFCD00000391 |
| SMILES | CC(=O)C1=CC(=CC=C1)C(F)(F)F |
| Synonym | 3'-trifluoromethyl acetophenone,3-trifluoromethyl acetophenone,3-trifluoromethylacetophenone,ethanone, 1-3-trifluoromethyl phenyl,1-3-trifluoromethyl phenyl ethanone,m-trifluoromethylacetophenone,3'-trifluoromethylacetophenone,1-3-trifluoromethyl phenyl ethan-1-one,1-3-trifluoromethyl-phenyl-ethanone |
| IUPAC Name | 1-[3-(trifluoromethyl)phenyl]ethanone |
| InChI Key | ABXGMGUHGLQMAW-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O |
2',4'-Dichloropropiophenone 97.0+%, TCI America™
CAS: 37885-41-9 Molecular Formula: C9H8Cl2O Molecular Weight (g/mol): 203.062 MDL Number: MFCD00027396 InChI Key: FBMTWRZQBRHOPF-UHFFFAOYSA-N Synonym: 2',4'-dichloropropiophenone,1-2,4-dichlorophenyl propan-1-one,2,4-dichloropropiophenone,1-2,4-dichlorophenyl-1-propanone,1-propanone, 1-2,4-dichlorophenyl,2 ,4-dichloropropiophenone,pubchem24408,acmc-209ivy,timtec-bb sbb016918,1-propanone,1-2,4-dichlorophenyl PubChem CID: 123467 IUPAC Name: 1-(2,4-dichlorophenyl)propan-1-one SMILES: CCC(=O)C1=C(C=C(C=C1)Cl)Cl
| PubChem CID | 123467 |
|---|---|
| CAS | 37885-41-9 |
| Molecular Weight (g/mol) | 203.062 |
| MDL Number | MFCD00027396 |
| SMILES | CCC(=O)C1=C(C=C(C=C1)Cl)Cl |
| Synonym | 2',4'-dichloropropiophenone,1-2,4-dichlorophenyl propan-1-one,2,4-dichloropropiophenone,1-2,4-dichlorophenyl-1-propanone,1-propanone, 1-2,4-dichlorophenyl,2 ,4-dichloropropiophenone,pubchem24408,acmc-209ivy,timtec-bb sbb016918,1-propanone,1-2,4-dichlorophenyl |
| IUPAC Name | 1-(2,4-dichlorophenyl)propan-1-one |
| InChI Key | FBMTWRZQBRHOPF-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O |
5,12-Naphthacenequinone 98.0+%, TCI America™
CAS: 1090-13-7 Molecular Formula: C18H10O2 Molecular Weight (g/mol): 258.28 MDL Number: MFCD00003701 InChI Key: LZPBKINTWROMEA-UHFFFAOYSA-N Synonym: 5,12-naphthacenequinone,5,12-naphthacenedione,naphthacenequinone,5,12-tetracenequinone,tetracenemonoquinone,naphthacene-6,11-quinone,naphthacene-5,12-dione,tetracenequinone,5,12-naphtacenequinone,tetracene-5,12-quinone PubChem CID: 14160 ChEBI: CHEBI:51287 IUPAC Name: 5,12-dihydrotetracene-5,12-dione SMILES: O=C1C2=CC=CC=C2C(=O)C2=C1C=C1C=CC=CC1=C2
| PubChem CID | 14160 |
|---|---|
| CAS | 1090-13-7 |
| Molecular Weight (g/mol) | 258.28 |
| ChEBI | CHEBI:51287 |
| MDL Number | MFCD00003701 |
| SMILES | O=C1C2=CC=CC=C2C(=O)C2=C1C=C1C=CC=CC1=C2 |
| Synonym | 5,12-naphthacenequinone,5,12-naphthacenedione,naphthacenequinone,5,12-tetracenequinone,tetracenemonoquinone,naphthacene-6,11-quinone,naphthacene-5,12-dione,tetracenequinone,5,12-naphtacenequinone,tetracene-5,12-quinone |
| IUPAC Name | 5,12-dihydrotetracene-5,12-dione |
| InChI Key | LZPBKINTWROMEA-UHFFFAOYSA-N |
| Molecular Formula | C18H10O2 |
3-Acetylpyridine 98.0+%, TCI America™
CAS: 350-03-8 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006396 InChI Key: WEGYGNROSJDEIW-UHFFFAOYSA-N Synonym: 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one PubChem CID: 9589 IUPAC Name: 1-pyridin-3-ylethanone SMILES: CC(=O)C1=CN=CC=C1
| PubChem CID | 9589 |
|---|---|
| CAS | 350-03-8 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006396 |
| SMILES | CC(=O)C1=CN=CC=C1 |
| Synonym | 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one |
| IUPAC Name | 1-pyridin-3-ylethanone |
| InChI Key | WEGYGNROSJDEIW-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
3'-Hydroxyacetophenone 98.0+%, TCI America™
CAS: 121-71-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002298 InChI Key: LUJMEECXHPYQOF-UHFFFAOYSA-N Synonym: 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol PubChem CID: 8487 IUPAC Name: 1-(3-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)O
| PubChem CID | 8487 |
|---|---|
| CAS | 121-71-1 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00002298 |
| SMILES | CC(=O)C1=CC(=CC=C1)O |
| Synonym | 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol |
| IUPAC Name | 1-(3-hydroxyphenyl)ethanone |
| InChI Key | LUJMEECXHPYQOF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Bis(benzoylmethyl) Sulfide 99.0+%, TCI America™
CAS: 2461-80-5 Molecular Formula: C16H14O2S Molecular Weight (g/mol): 270.346 MDL Number: MFCD00054497 InChI Key: LHSKVFSCEMNSEC-UHFFFAOYSA-N PubChem CID: 249751 IUPAC Name: 2-phenacylsulfanyl-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CSCC(=O)C2=CC=CC=C2
| PubChem CID | 249751 |
|---|---|
| CAS | 2461-80-5 |
| Molecular Weight (g/mol) | 270.346 |
| MDL Number | MFCD00054497 |
| SMILES | C1=CC=C(C=C1)C(=O)CSCC(=O)C2=CC=CC=C2 |
| IUPAC Name | 2-phenacylsulfanyl-1-phenylethanone |
| InChI Key | LHSKVFSCEMNSEC-UHFFFAOYSA-N |
| Molecular Formula | C16H14O2S |
2-Bromo-4'-nitroacetophenone 98.0+%, TCI America™
CAS: 99-81-0 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.044 MDL Number: MFCD00007356 InChI Key: MBUPVGIGAMCMBT-UHFFFAOYSA-N Synonym: 2-bromo-4'-nitroacetophenone,2-bromo-1-4-nitrophenyl ethanone,4-nitrophenacyl bromide,p-nitrophenacyl bromide,2-bromo-1-4-nitrophenyl ethan-1-one,alpha-bromo-p-nitroacetophenone,ethanone, 2-bromo-1-4-nitrophenyl,4'-nitrophenacyl bromide,alpha-bromo-4-nitroacetophenone,2-bromo-4-nitroacetophenone PubChem CID: 66840 IUPAC Name: 2-bromo-1-(4-nitrophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)[N+](=O)[O-]
| PubChem CID | 66840 |
|---|---|
| CAS | 99-81-0 |
| Molecular Weight (g/mol) | 244.044 |
| MDL Number | MFCD00007356 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)[N+](=O)[O-] |
| Synonym | 2-bromo-4'-nitroacetophenone,2-bromo-1-4-nitrophenyl ethanone,4-nitrophenacyl bromide,p-nitrophenacyl bromide,2-bromo-1-4-nitrophenyl ethan-1-one,alpha-bromo-p-nitroacetophenone,ethanone, 2-bromo-1-4-nitrophenyl,4'-nitrophenacyl bromide,alpha-bromo-4-nitroacetophenone,2-bromo-4-nitroacetophenone |
| IUPAC Name | 2-bromo-1-(4-nitrophenyl)ethanone |
| InChI Key | MBUPVGIGAMCMBT-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO3 |
1,3-Acetonedicarboxylic Acid 95.0+%, TCI America™
CAS: 542-05-2 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00002711 InChI Key: OXTNCQMOKLOUAM-UHFFFAOYSA-N Synonym: 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure PubChem CID: 68328 IUPAC Name: 3-oxopentanedioic acid SMILES: C(C(=O)CC(=O)O)C(=O)O
| PubChem CID | 68328 |
|---|---|
| CAS | 542-05-2 |
| Molecular Weight (g/mol) | 146.098 |
| MDL Number | MFCD00002711 |
| SMILES | C(C(=O)CC(=O)O)C(=O)O |
| Synonym | 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure |
| IUPAC Name | 3-oxopentanedioic acid |
| InChI Key | OXTNCQMOKLOUAM-UHFFFAOYSA-N |
| Molecular Formula | C5H6O5 |
5-Benzoylpentanoic Acid 98.0+%, TCI America™
CAS: 4144-62-1 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD00014380 InChI Key: AIEMSTCGCMIJTI-UHFFFAOYSA-N Synonym: 5-benzoylpentanoic acid,5-benzoylvaleric acid,delta-benzoylvaleric acid,5-benzoylpentanoicacid,6-benzoylpentanoic acid,acmc-1akf8,6-oxo-6-phenyl-hexanoic acid,6-oxo-6-phenyl hexanoic acid,6-keto-6-phenyl-hexanoic acid PubChem CID: 223595 IUPAC Name: 6-oxo-6-phenylhexanoic acid SMILES: OC(=O)CCCCC(=O)C1=CC=CC=C1
| PubChem CID | 223595 |
|---|---|
| CAS | 4144-62-1 |
| Molecular Weight (g/mol) | 206.24 |
| MDL Number | MFCD00014380 |
| SMILES | OC(=O)CCCCC(=O)C1=CC=CC=C1 |
| Synonym | 5-benzoylpentanoic acid,5-benzoylvaleric acid,delta-benzoylvaleric acid,5-benzoylpentanoicacid,6-benzoylpentanoic acid,acmc-1akf8,6-oxo-6-phenyl-hexanoic acid,6-oxo-6-phenyl hexanoic acid,6-keto-6-phenyl-hexanoic acid |
| IUPAC Name | 6-oxo-6-phenylhexanoic acid |
| InChI Key | AIEMSTCGCMIJTI-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |
2'-Chloroacetophenone 97.0+%, TCI America™
CAS: 2142-68-9 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.593 MDL Number: MFCD00000560 InChI Key: ZDOYHCIRUPHUHN-UHFFFAOYSA-N Synonym: 2'-chloroacetophenone,1-2-chlorophenyl ethanone,o-chloroacetophenone,1-2-chlorophenyl ethan-1-one,ethanone, 1-2-chlorophenyl,acetophenone, 2'-chloro,o-chloroacetophonone,1-2-chloro-phenyl-ethanone,ethanone, 1-chlorophenyl,1-acetyl-2-chlorobenzene PubChem CID: 72864 IUPAC Name: 1-(2-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1Cl
| PubChem CID | 72864 |
|---|---|
| CAS | 2142-68-9 |
| Molecular Weight (g/mol) | 154.593 |
| MDL Number | MFCD00000560 |
| SMILES | CC(=O)C1=CC=CC=C1Cl |
| Synonym | 2'-chloroacetophenone,1-2-chlorophenyl ethanone,o-chloroacetophenone,1-2-chlorophenyl ethan-1-one,ethanone, 1-2-chlorophenyl,acetophenone, 2'-chloro,o-chloroacetophonone,1-2-chloro-phenyl-ethanone,ethanone, 1-chlorophenyl,1-acetyl-2-chlorobenzene |
| IUPAC Name | 1-(2-chlorophenyl)ethanone |
| InChI Key | ZDOYHCIRUPHUHN-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
Alizarin 95.0+%, TCI America™
CAS: 72-48-0 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001201 InChI Key: RGCKGOZRHPZPFP-UHFFFAOYSA-N Synonym: alizarin,alizarin red,mordant red 11,1,2-dihydroxyanthraquinone,alizarin b,turkey red,1,2-anthraquinonediol,alizarine,alizarina,alizarine red PubChem CID: 6293 ChEBI: CHEBI:16866 IUPAC Name: 1,2-dihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
| PubChem CID | 6293 |
|---|---|
| CAS | 72-48-0 |
| Molecular Weight (g/mol) | 240.214 |
| ChEBI | CHEBI:16866 |
| MDL Number | MFCD00001201 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O |
| Synonym | alizarin,alizarin red,mordant red 11,1,2-dihydroxyanthraquinone,alizarin b,turkey red,1,2-anthraquinonediol,alizarine,alizarina,alizarine red |
| IUPAC Name | 1,2-dihydroxyanthracene-9,10-dione |
| InChI Key | RGCKGOZRHPZPFP-UHFFFAOYSA-N |
| Molecular Formula | C14H8O4 |
2-Hydroxyacetophenone 98.0+%, TCI America™
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 |
1,4-Dichloroanthraquinone 98.0+%, TCI America™
CAS: 602-25-5 Molecular Formula: C14H6Cl2O2 Molecular Weight (g/mol): 277.10 MDL Number: MFCD00192002 InChI Key: CAHGWVAXFJXDNI-UHFFFAOYSA-N PubChem CID: 4179424 IUPAC Name: 1,4-dichloro-9,10-dihydroanthracene-9,10-dione SMILES: ClC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(Cl)C=C1
| PubChem CID | 4179424 |
|---|---|
| CAS | 602-25-5 |
| Molecular Weight (g/mol) | 277.10 |
| MDL Number | MFCD00192002 |
| SMILES | ClC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(Cl)C=C1 |
| IUPAC Name | 1,4-dichloro-9,10-dihydroanthracene-9,10-dione |
| InChI Key | CAHGWVAXFJXDNI-UHFFFAOYSA-N |
| Molecular Formula | C14H6Cl2O2 |