Organooxygen compounds
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3'-Fluoro-4'-hydroxyacetophenone 97.0+%, TCI America™
CAS: 403-14-5 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00215840 InChI Key: GSWTXZXGONEVJC-UHFFFAOYSA-N Synonym: 3'-fluoro-4'-hydroxyacetophenone,1-3-fluoro-4-hydroxyphenyl ethanone,1-3-fluoro-4-hydroxyphenyl-1-ethanone,1-3-fluoro-4-hydroxyphenyl ethan-1-one,3-fluoro-4-hydroxyacetophenone,ethanone, 1-3-fluoro-4-hydroxyphenyl,1-3-fluoro-4-hydroxy-phenyl-ethanone,1-acetyl-3-fluoro-4-hydroxybenzene,pubchem3492,acmc-20a0dy PubChem CID: 2737325 IUPAC Name: 1-(3-fluoro-4-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)O)F
| PubChem CID | 2737325 |
|---|---|
| CAS | 403-14-5 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00215840 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)F |
| Synonym | 3'-fluoro-4'-hydroxyacetophenone,1-3-fluoro-4-hydroxyphenyl ethanone,1-3-fluoro-4-hydroxyphenyl-1-ethanone,1-3-fluoro-4-hydroxyphenyl ethan-1-one,3-fluoro-4-hydroxyacetophenone,ethanone, 1-3-fluoro-4-hydroxyphenyl,1-3-fluoro-4-hydroxy-phenyl-ethanone,1-acetyl-3-fluoro-4-hydroxybenzene,pubchem3492,acmc-20a0dy |
| IUPAC Name | 1-(3-fluoro-4-hydroxyphenyl)ethanone |
| InChI Key | GSWTXZXGONEVJC-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
1-(4-Bromophenyl)-1,3-butanedione 98.0+%, TCI America™
CAS: 4023-81-8 Molecular Formula: C10H9BrO2 Molecular Weight (g/mol): 241.08 MDL Number: MFCD04619579 InChI Key: HPMLNAUGJOJXLT-POHAHGRESA-N Synonym: (4-Bromobenzoyl)acetone PubChem CID: 432653 IUPAC Name: (3Z)-4-(4-bromophenyl)-4-hydroxybut-3-en-2-one SMILES: CC(=O)\C=C(/O)C1=CC=C(Br)C=C1
| PubChem CID | 432653 |
|---|---|
| CAS | 4023-81-8 |
| Molecular Weight (g/mol) | 241.08 |
| MDL Number | MFCD04619579 |
| SMILES | CC(=O)\C=C(/O)C1=CC=C(Br)C=C1 |
| Synonym | (4-Bromobenzoyl)acetone |
| IUPAC Name | (3Z)-4-(4-bromophenyl)-4-hydroxybut-3-en-2-one |
| InChI Key | HPMLNAUGJOJXLT-POHAHGRESA-N |
| Molecular Formula | C10H9BrO2 |
Methyl 4-Chloroacetoacetate 96.0+%, TCI America™
CAS: 32807-28-6 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000938 InChI Key: HFLMYYLFSNEOOT-UHFFFAOYSA-N Synonym: methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 PubChem CID: 36240 IUPAC Name: methyl 4-chloro-3-oxobutanoate SMILES: COC(=O)CC(=O)CCl
| PubChem CID | 36240 |
|---|---|
| CAS | 32807-28-6 |
| Molecular Weight (g/mol) | 150.56 |
| MDL Number | MFCD00000938 |
| SMILES | COC(=O)CC(=O)CCl |
| Synonym | methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 |
| IUPAC Name | methyl 4-chloro-3-oxobutanoate |
| InChI Key | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
4',6'-Dimethoxy-2'-hydroxyacetophenone 98.0+%, TCI America™
CAS: 90-24-4 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00017243 InChI Key: FBUBVLUPUDBFME-UHFFFAOYSA-N Synonym: xanthoxylin,2'-hydroxy-4',6'-dimethoxyacetophenone,brevifolin,xanthoxyline,2-hydroxy-4,6-dimethoxyacetophenone,1-2-hydroxy-4,6-dimethoxyphenyl ethanone,brevifolin zanthoxylum,phloracetophenone dimethyl ether,brevifolin van,1-2-hydroxy-4,6-dimethoxyphenyl ethan-1-one PubChem CID: 66654 ChEBI: CHEBI:10070 IUPAC Name: 1-(2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one SMILES: COC1=CC(O)=C(C(C)=O)C(OC)=C1
| PubChem CID | 66654 |
|---|---|
| CAS | 90-24-4 |
| Molecular Weight (g/mol) | 196.20 |
| ChEBI | CHEBI:10070 |
| MDL Number | MFCD00017243 |
| SMILES | COC1=CC(O)=C(C(C)=O)C(OC)=C1 |
| Synonym | xanthoxylin,2'-hydroxy-4',6'-dimethoxyacetophenone,brevifolin,xanthoxyline,2-hydroxy-4,6-dimethoxyacetophenone,1-2-hydroxy-4,6-dimethoxyphenyl ethanone,brevifolin zanthoxylum,phloracetophenone dimethyl ether,brevifolin van,1-2-hydroxy-4,6-dimethoxyphenyl ethan-1-one |
| IUPAC Name | 1-(2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one |
| InChI Key | FBUBVLUPUDBFME-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
4,4'-Diacetylbiphenyl 99.0+%, TCI America™
CAS: 787-69-9 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.286 MDL Number: MFCD00017248 InChI Key: YSTSBXDVNKYPTR-UHFFFAOYSA-N Synonym: 4,4'-diacetylbiphenyl,4,4'-diacetyl biphenyl,1-4-4-acetylphenyl phenyl ethanone,4,4-diacetylbiphenyl,1,1'-1,1'-biphenyl-4,4'-diyl diethanone,1-4'-acetyl 1,1'-biphenyl-4-yl ethanone,ethanone, 1,1'-1,1'-biphenyl-4,4'-diylbis,1-acetyl-4-4-acetylphenyl benzene,1-4'-acetyl-1,1'-biphenyl-4-yl ethanone,diacetyl biphenyl PubChem CID: 301558 IUPAC Name: 1-[4-(4-acetylphenyl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C
| PubChem CID | 301558 |
|---|---|
| CAS | 787-69-9 |
| Molecular Weight (g/mol) | 238.286 |
| MDL Number | MFCD00017248 |
| SMILES | CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C |
| Synonym | 4,4'-diacetylbiphenyl,4,4'-diacetyl biphenyl,1-4-4-acetylphenyl phenyl ethanone,4,4-diacetylbiphenyl,1,1'-1,1'-biphenyl-4,4'-diyl diethanone,1-4'-acetyl 1,1'-biphenyl-4-yl ethanone,ethanone, 1,1'-1,1'-biphenyl-4,4'-diylbis,1-acetyl-4-4-acetylphenyl benzene,1-4'-acetyl-1,1'-biphenyl-4-yl ethanone,diacetyl biphenyl |
| IUPAC Name | 1-[4-(4-acetylphenyl)phenyl]ethanone |
| InChI Key | YSTSBXDVNKYPTR-UHFFFAOYSA-N |
| Molecular Formula | C16H14O2 |
Ethyl 4-Acetylbenzoate 97.0+%, TCI America™
CAS: 38430-55-6 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.21 MDL Number: MFCD00013241 InChI Key: GLOAPLPTWAXAIG-UHFFFAOYSA-N PubChem CID: 600911 IUPAC Name: ethyl 4-acetylbenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C(C)=O
| PubChem CID | 600911 |
|---|---|
| CAS | 38430-55-6 |
| Molecular Weight (g/mol) | 192.21 |
| MDL Number | MFCD00013241 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(C)=O |
| IUPAC Name | ethyl 4-acetylbenzoate |
| InChI Key | GLOAPLPTWAXAIG-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
4'-Hydroxypropiophenone 98.0+%, TCI America™
CAS: 70-70-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002361 InChI Key: RARSHUDCJQSEFJ-UHFFFAOYSA-N Synonym: 4'-hydroxypropiophenone,paroxypropione,4-hydroxypropiophenone,1-4-hydroxyphenyl propan-1-one,mepal,paroxypropion,frenantol,frenohypon,p-hydroxypropiophenone,proxiphenon PubChem CID: 6271 ChEBI: CHEBI:32352 IUPAC Name: 1-(4-hydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)O
| PubChem CID | 6271 |
|---|---|
| CAS | 70-70-2 |
| Molecular Weight (g/mol) | 150.177 |
| ChEBI | CHEBI:32352 |
| MDL Number | MFCD00002361 |
| SMILES | CCC(=O)C1=CC=C(C=C1)O |
| Synonym | 4'-hydroxypropiophenone,paroxypropione,4-hydroxypropiophenone,1-4-hydroxyphenyl propan-1-one,mepal,paroxypropion,frenantol,frenohypon,p-hydroxypropiophenone,proxiphenon |
| IUPAC Name | 1-(4-hydroxyphenyl)propan-1-one |
| InChI Key | RARSHUDCJQSEFJ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
4'-Hydroxyhexanophenone 99.0+%, TCI America™
CAS: 2589-72-2 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00671540 InChI Key: YDGNMJZDWLQUTE-UHFFFAOYSA-N PubChem CID: 345110 IUPAC Name: 1-(4-hydroxyphenyl)hexan-1-one SMILES: CCCCCC(=O)C1=CC=C(C=C1)O
| PubChem CID | 345110 |
|---|---|
| CAS | 2589-72-2 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00671540 |
| SMILES | CCCCCC(=O)C1=CC=C(C=C1)O |
| IUPAC Name | 1-(4-hydroxyphenyl)hexan-1-one |
| InChI Key | YDGNMJZDWLQUTE-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
2',4'-Dimethylacetophenone 95.0+%, TCI America™
CAS: 89-74-7 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00003571 InChI Key: HSDSKVWQTONQBJ-UHFFFAOYSA-N Synonym: 2',4'-dimethylacetophenone,1-2,4-dimethylphenyl ethanone,2,4-dimethylacetophenone,4-acetyl-m-xylene,ethanone, 1-2,4-dimethylphenyl,acetyl-m-xylene,1-2,4-dimethylphenyl ethan-1-one,acetophenone, 2',4'-dimethyl,unii-8k29me27ya,methyl 2,4-dimethylphenyl ketone PubChem CID: 6985 IUPAC Name: 1-(2,4-dimethylphenyl)ethanone SMILES: CC1=CC(=C(C=C1)C(=O)C)C
| PubChem CID | 6985 |
|---|---|
| CAS | 89-74-7 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00003571 |
| SMILES | CC1=CC(=C(C=C1)C(=O)C)C |
| Synonym | 2',4'-dimethylacetophenone,1-2,4-dimethylphenyl ethanone,2,4-dimethylacetophenone,4-acetyl-m-xylene,ethanone, 1-2,4-dimethylphenyl,acetyl-m-xylene,1-2,4-dimethylphenyl ethan-1-one,acetophenone, 2',4'-dimethyl,unii-8k29me27ya,methyl 2,4-dimethylphenyl ketone |
| IUPAC Name | 1-(2,4-dimethylphenyl)ethanone |
| InChI Key | HSDSKVWQTONQBJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
2-Chloropropiophenone 95.0+%, TCI America™
CAS: 6084-17-9 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD03844782 InChI Key: AXCPQHPNAZONTH-UHFFFAOYNA-N Synonym: 2-Chloro-1-phenyl-1-propanone PubChem CID: 221281 IUPAC Name: 2-chloro-1-phenylpropan-1-one SMILES: CC(Cl)C(=O)C1=CC=CC=C1
| PubChem CID | 221281 |
|---|---|
| CAS | 6084-17-9 |
| Molecular Weight (g/mol) | 168.62 |
| MDL Number | MFCD03844782 |
| SMILES | CC(Cl)C(=O)C1=CC=CC=C1 |
| Synonym | 2-Chloro-1-phenyl-1-propanone |
| IUPAC Name | 2-chloro-1-phenylpropan-1-one |
| InChI Key | AXCPQHPNAZONTH-UHFFFAOYNA-N |
| Molecular Formula | C9H9ClO |
4'-(Difluoromethoxy)acetophenone 98.0+%, TCI America™
CAS: 83882-67-1 Molecular Formula: C9H8F2O2 Molecular Weight (g/mol): 186.158 MDL Number: MFCD00042250 InChI Key: GIGWRVLNOYPOIT-UHFFFAOYSA-N PubChem CID: 737356 IUPAC Name: 1-[4-(difluoromethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)OC(F)F
| PubChem CID | 737356 |
|---|---|
| CAS | 83882-67-1 |
| Molecular Weight (g/mol) | 186.158 |
| MDL Number | MFCD00042250 |
| SMILES | CC(=O)C1=CC=C(C=C1)OC(F)F |
| IUPAC Name | 1-[4-(difluoromethoxy)phenyl]ethanone |
| InChI Key | GIGWRVLNOYPOIT-UHFFFAOYSA-N |
| Molecular Formula | C9H8F2O2 |
4-(4-Methylphenyl)-4-oxobutyric Acid 98.0+%, TCI America™
CAS: 4619-20-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00020541 InChI Key: OEEUWZITKKSXAZ-UHFFFAOYSA-N Synonym: 3-4-methylbenzoyl propionic acid,4-oxo-4-p-tolyl butanoic acid,4-4-methylphenyl-4-oxobutanoic acid,4-4-methylphenyl-4-oxobutyric acid,4-oxo-4-4-tolyl butyric acid,4-oxo-4-p-tolylbutyric acid,4-oxo-4-p-tolylbutanoic acid,3-4-methylbenzoyl-propionic acid,acmc-1aooh,benzenebutanoic acid, 4-methyl-gamma-oxo PubChem CID: 244162 IUPAC Name: 4-(4-methylphenyl)-4-oxobutanoic acid SMILES: CC1=CC=C(C=C1)C(=O)CCC(=O)O
| PubChem CID | 244162 |
|---|---|
| CAS | 4619-20-9 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00020541 |
| SMILES | CC1=CC=C(C=C1)C(=O)CCC(=O)O |
| Synonym | 3-4-methylbenzoyl propionic acid,4-oxo-4-p-tolyl butanoic acid,4-4-methylphenyl-4-oxobutanoic acid,4-4-methylphenyl-4-oxobutyric acid,4-oxo-4-4-tolyl butyric acid,4-oxo-4-p-tolylbutyric acid,4-oxo-4-p-tolylbutanoic acid,3-4-methylbenzoyl-propionic acid,acmc-1aooh,benzenebutanoic acid, 4-methyl-gamma-oxo |
| IUPAC Name | 4-(4-methylphenyl)-4-oxobutanoic acid |
| InChI Key | OEEUWZITKKSXAZ-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
1-Methylisatin 98.0+%, TCI America™
CAS: 2058-74-4 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005812 InChI Key: VCYBVWFTGAZHGH-UHFFFAOYSA-N Synonym: n-methylisatin,1-methylisatin,1-methyl-1h-indole-2,3-dione,1-methylindoline-2,3-dione,1h-indole-2,3-dione, 1-methyl,1-methyl-indole-2,3-dione,1 methylisatine,n-methylindol-2,3-dione,1-methyl-2,3-dihydro-1h-indole-2,3-dione,1-methyl-2,3-indolinedione PubChem CID: 16358 IUPAC Name: 1-methyl-2,3-dihydro-1H-indole-2,3-dione SMILES: CN1C(=O)C(=O)C2=CC=CC=C12
| PubChem CID | 16358 |
|---|---|
| CAS | 2058-74-4 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00005812 |
| SMILES | CN1C(=O)C(=O)C2=CC=CC=C12 |
| Synonym | n-methylisatin,1-methylisatin,1-methyl-1h-indole-2,3-dione,1-methylindoline-2,3-dione,1h-indole-2,3-dione, 1-methyl,1-methyl-indole-2,3-dione,1 methylisatine,n-methylindol-2,3-dione,1-methyl-2,3-dihydro-1h-indole-2,3-dione,1-methyl-2,3-indolinedione |
| IUPAC Name | 1-methyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | VCYBVWFTGAZHGH-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
2-Oxo-4-phenylbutyric Acid 98.0+%, TCI America™
CAS: 710-11-2 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00969471 InChI Key: PPKAIMDMNWBOKN-UHFFFAOYSA-N PubChem CID: 69732 IUPAC Name: 2-oxo-4-phenylbutanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)C(=O)O
| PubChem CID | 69732 |
|---|---|
| CAS | 710-11-2 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00969471 |
| SMILES | C1=CC=C(C=C1)CCC(=O)C(=O)O |
| IUPAC Name | 2-oxo-4-phenylbutanoic acid |
| InChI Key | PPKAIMDMNWBOKN-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
3,3-Dibromo-1,1,1-trifluoroacetone 98.0+%, TCI America™
CAS: 431-67-4 Molecular Formula: C3HBr2F3O Molecular Weight (g/mol): 269.843 MDL Number: MFCD00041362 InChI Key: HEPPAPZASXFWTB-UHFFFAOYSA-N Synonym: 1,1-dibromo-3,3,3-trifluoroacetone,3,3-dibromo-1,1,1-trifluoroacetone,3,3-dibromo-1,1,1-trifluoro-propan-2-one,2-propanone, 3,3-dibromo-1,1,1-trifluoro,dibromotrifluoroaceton,pubchem12627,3,3-dibromotrifluoroacetone,ksc237m8t,l,l-dibromo-3,3,3-trifluoroacetone,1,1-di-bromo-3,3,3-trifluoroacetone PubChem CID: 550523 IUPAC Name: 3,3-dibromo-1,1,1-trifluoropropan-2-one SMILES: C(C(=O)C(F)(F)F)(Br)Br
| PubChem CID | 550523 |
|---|---|
| CAS | 431-67-4 |
| Molecular Weight (g/mol) | 269.843 |
| MDL Number | MFCD00041362 |
| SMILES | C(C(=O)C(F)(F)F)(Br)Br |
| Synonym | 1,1-dibromo-3,3,3-trifluoroacetone,3,3-dibromo-1,1,1-trifluoroacetone,3,3-dibromo-1,1,1-trifluoro-propan-2-one,2-propanone, 3,3-dibromo-1,1,1-trifluoro,dibromotrifluoroaceton,pubchem12627,3,3-dibromotrifluoroacetone,ksc237m8t,l,l-dibromo-3,3,3-trifluoroacetone,1,1-di-bromo-3,3,3-trifluoroacetone |
| IUPAC Name | 3,3-dibromo-1,1,1-trifluoropropan-2-one |
| InChI Key | HEPPAPZASXFWTB-UHFFFAOYSA-N |
| Molecular Formula | C3HBr2F3O |