Organooxygen compounds
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Methyl (4-Hydroxybenzoyl)acetate 93.0+%, TCI America™
CAS: 32066-29-8 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00191516 InChI Key: VZOFEVHSVUBEPH-UHFFFAOYSA-N Synonym: (4-Hydroxybenzoyl)acetic Acid Methyl Ester, Methyl 3-(4-Hydroxyphenyl)-3-oxopropionate, 3-(4-Hydroxyphenyl)-3-oxopropionic Acid Methyl Ester PubChem CID: 508465 IUPAC Name: methyl 3-(4-hydroxyphenyl)-3-oxopropanoate SMILES: COC(=O)CC(=O)C1=CC=C(C=C1)O
| PubChem CID | 508465 |
|---|---|
| CAS | 32066-29-8 |
| Molecular Weight (g/mol) | 194.186 |
| MDL Number | MFCD00191516 |
| SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)O |
| Synonym | (4-Hydroxybenzoyl)acetic Acid Methyl Ester, Methyl 3-(4-Hydroxyphenyl)-3-oxopropionate, 3-(4-Hydroxyphenyl)-3-oxopropionic Acid Methyl Ester |
| IUPAC Name | methyl 3-(4-hydroxyphenyl)-3-oxopropanoate |
| InChI Key | VZOFEVHSVUBEPH-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
4'-Methoxyacetophenone 99.0+%, TCI America™
CAS: 100-06-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008745 InChI Key: NTPLXRHDUXRPNE-UHFFFAOYSA-N Synonym: 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl PubChem CID: 7476 ChEBI: CHEBI:86567 IUPAC Name: 1-(4-methoxyphenyl)ethan-1-one SMILES: COC1=CC=C(C=C1)C(C)=O
| PubChem CID | 7476 |
|---|---|
| CAS | 100-06-1 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:86567 |
| MDL Number | MFCD00008745 |
| SMILES | COC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl |
| IUPAC Name | 1-(4-methoxyphenyl)ethan-1-one |
| InChI Key | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
4-Fluorobenzoylacetonitrile 98.0+%, TCI America™
CAS: 4640-67-9 Molecular Formula: C9H6FNO Molecular Weight (g/mol): 163.15 MDL Number: MFCD00662062 InChI Key: LOJBBLDAJBJVBZ-UHFFFAOYSA-N Synonym: 4-fluorobenzoylacetonitrile,3-4-fluorophenyl-3-oxopropanenitrile,p-fluorobenzoylacetonitrile,unii-k1ltb8k2dh,3-4-fluorophenyl-3-oxopropionitrile,k1ltb8k2dh,3-4-fluoro-phenyl-3-oxo-propionitrile,benzenepropanenitrile, 4-fluoro-beta-oxo,alpha-cyano-4-fluoroacetophenone,acetonitrile, p-fluorobenzoyl PubChem CID: 2783172 IUPAC Name: 3-(4-fluorophenyl)-3-oxopropanenitrile SMILES: FC1=CC=C(C=C1)C(=O)CC#N
| PubChem CID | 2783172 |
|---|---|
| CAS | 4640-67-9 |
| Molecular Weight (g/mol) | 163.15 |
| MDL Number | MFCD00662062 |
| SMILES | FC1=CC=C(C=C1)C(=O)CC#N |
| Synonym | 4-fluorobenzoylacetonitrile,3-4-fluorophenyl-3-oxopropanenitrile,p-fluorobenzoylacetonitrile,unii-k1ltb8k2dh,3-4-fluorophenyl-3-oxopropionitrile,k1ltb8k2dh,3-4-fluoro-phenyl-3-oxo-propionitrile,benzenepropanenitrile, 4-fluoro-beta-oxo,alpha-cyano-4-fluoroacetophenone,acetonitrile, p-fluorobenzoyl |
| IUPAC Name | 3-(4-fluorophenyl)-3-oxopropanenitrile |
| InChI Key | LOJBBLDAJBJVBZ-UHFFFAOYSA-N |
| Molecular Formula | C9H6FNO |
2-Chloro-2-phenylacetophenone 98.0+%, TCI America™
CAS: 447-31-4 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00000858 InChI Key: RXDYOLRABMJTEF-UHFFFAOYNA-N Synonym: desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl PubChem CID: 95343 IUPAC Name: 2-chloro-1,2-diphenylethan-1-one SMILES: ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 95343 |
|---|---|
| CAS | 447-31-4 |
| Molecular Weight (g/mol) | 230.69 |
| MDL Number | MFCD00000858 |
| SMILES | ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl |
| IUPAC Name | 2-chloro-1,2-diphenylethan-1-one |
| InChI Key | RXDYOLRABMJTEF-UHFFFAOYNA-N |
| Molecular Formula | C14H11ClO |
6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid 97.0+%, TCI America™
CAS: 55453-87-7 Molecular Formula: C16H12O4 Molecular Weight (g/mol): 268.268 MDL Number: MFCD00242952 InChI Key: QFGMXJOBTNZHEL-UHFFFAOYSA-N Synonym: 6H-11-Oxodibenzo[b,e]oxepin-2-acetic Acid, Isoxepac PubChem CID: 41448 IUPAC Name: 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid SMILES: C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)O
| PubChem CID | 41448 |
|---|---|
| CAS | 55453-87-7 |
| Molecular Weight (g/mol) | 268.268 |
| MDL Number | MFCD00242952 |
| SMILES | C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)O |
| Synonym | 6H-11-Oxodibenzo[b,e]oxepin-2-acetic Acid, Isoxepac |
| IUPAC Name | 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid |
| InChI Key | QFGMXJOBTNZHEL-UHFFFAOYSA-N |
| Molecular Formula | C16H12O4 |
2,2,2-Trifluoroacetophenone 98.0+%, TCI America™
CAS: 434-45-7 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.122 MDL Number: MFCD00000420 InChI Key: KZJRKRQSDZGHEC-UHFFFAOYSA-N Synonym: trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 PubChem CID: 9905 IUPAC Name: 2,2,2-trifluoro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
| PubChem CID | 9905 |
|---|---|
| CAS | 434-45-7 |
| Molecular Weight (g/mol) | 174.122 |
| MDL Number | MFCD00000420 |
| SMILES | C1=CC=C(C=C1)C(=O)C(F)(F)F |
| Synonym | trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 |
| IUPAC Name | 2,2,2-trifluoro-1-phenylethanone |
| InChI Key | KZJRKRQSDZGHEC-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |
2'-(Trifluoromethoxy)acetophenone 98.0+%, TCI America™
CAS: 220227-93-0 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00236320 InChI Key: XTXSTESGCXKUIH-UHFFFAOYSA-N Synonym: 2'-trifluoromethoxy acetophenone,1-2-trifluoromethoxy phenyl ethanone,1-2-trifluoromethoxy phenyl ethan-1-one,1-acetyl-2-trifluoromethoxy benzene,pubchem4295,2-trifluoromethoxy acetophenone98,1-2-trifluoromethoxyphenyl ethanone,2'-trifluoromethoxy acetophenone98 PubChem CID: 2777176 IUPAC Name: 1-[2-(trifluoromethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777176 |
|---|---|
| CAS | 220227-93-0 |
| Molecular Weight (g/mol) | 204.148 |
| MDL Number | MFCD00236320 |
| SMILES | CC(=O)C1=CC=CC=C1OC(F)(F)F |
| Synonym | 2'-trifluoromethoxy acetophenone,1-2-trifluoromethoxy phenyl ethanone,1-2-trifluoromethoxy phenyl ethan-1-one,1-acetyl-2-trifluoromethoxy benzene,pubchem4295,2-trifluoromethoxy acetophenone98,1-2-trifluoromethoxyphenyl ethanone,2'-trifluoromethoxy acetophenone98 |
| IUPAC Name | 1-[2-(trifluoromethoxy)phenyl]ethanone |
| InChI Key | XTXSTESGCXKUIH-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
5'-Chloro-2'-hydroxy-3'-nitroacetophenone 98.0+%, TCI America™
CAS: 84942-40-5 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.589 MDL Number: MFCD00191921 InChI Key: IUNBIQBAYUBIFD-UHFFFAOYSA-N Synonym: 5'-chloro-2'-hydroxy-3'-nitroacetophenone,1-5-chloro-2-hydroxy-3-nitrophenyl ethanone,2-acetyl-6-nitro-4-chlorophenol,2-acetyl-6-nitro-4-chloro phenol,2-acetyl-4-chloro-6-nitrophenol,5-chloro-3-nitro-2-hydroxyacetophenone,benzoic acid,5-chloro-2-hydroxy-3-nitro,ethanone, 1-5-chloro-2-hydroxy-3-nitrophenyl,1-acetyl-5-chloro-2-hydroxy-3-nitrobenzene,pubchem3355 PubChem CID: 688237 SMILES: CC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])Cl
| PubChem CID | 688237 |
|---|---|
| CAS | 84942-40-5 |
| Molecular Weight (g/mol) | 215.589 |
| MDL Number | MFCD00191921 |
| SMILES | CC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])Cl |
| Synonym | 5'-chloro-2'-hydroxy-3'-nitroacetophenone,1-5-chloro-2-hydroxy-3-nitrophenyl ethanone,2-acetyl-6-nitro-4-chlorophenol,2-acetyl-6-nitro-4-chloro phenol,2-acetyl-4-chloro-6-nitrophenol,5-chloro-3-nitro-2-hydroxyacetophenone,benzoic acid,5-chloro-2-hydroxy-3-nitro,ethanone, 1-5-chloro-2-hydroxy-3-nitrophenyl,1-acetyl-5-chloro-2-hydroxy-3-nitrobenzene,pubchem3355 |
| InChI Key | IUNBIQBAYUBIFD-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO4 |
3-Chloro-4'-methoxypropiophenone 95.0+%, TCI America™
CAS: 35999-20-3 Molecular Formula: C10H11ClO2 Molecular Weight (g/mol): 198.65 MDL Number: MFCD00236602 InChI Key: FJBUZSAECLLZOL-UHFFFAOYSA-N PubChem CID: 233255 IUPAC Name: 3-chloro-1-(4-methoxyphenyl)propan-1-one SMILES: COC1=CC=C(C=C1)C(=O)CCCl
| PubChem CID | 233255 |
|---|---|
| CAS | 35999-20-3 |
| Molecular Weight (g/mol) | 198.65 |
| MDL Number | MFCD00236602 |
| SMILES | COC1=CC=C(C=C1)C(=O)CCCl |
| IUPAC Name | 3-chloro-1-(4-methoxyphenyl)propan-1-one |
| InChI Key | FJBUZSAECLLZOL-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO2 |
Acetoin (May exist as crystalline dimer) 98.0+%, TCI America™
CAS: 513-86-0 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00004521,MFCD00038696 InChI Key: ROWKJAVDOGWPAT-UHFFFAOYNA-N Synonym: acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl PubChem CID: 179 ChEBI: CHEBI:15688 IUPAC Name: 3-hydroxybutan-2-one SMILES: CC(O)C(C)=O
| PubChem CID | 179 |
|---|---|
| CAS | 513-86-0 |
| Molecular Weight (g/mol) | 88.11 |
| ChEBI | CHEBI:15688 |
| MDL Number | MFCD00004521,MFCD00038696 |
| SMILES | CC(O)C(C)=O |
| Synonym | acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl |
| IUPAC Name | 3-hydroxybutan-2-one |
| InChI Key | ROWKJAVDOGWPAT-UHFFFAOYNA-N |
| Molecular Formula | C4H8O2 |
Propioin 95.0+%, TCI America™
CAS: 4984-85-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00043572 InChI Key: SKCYVGUCBRYGTE-UHFFFAOYSA-N Synonym: 4-Hydroxy-3-hexanone PubChem CID: 95609 ChEBI: CHEBI:18351 IUPAC Name: 4-hydroxyhexan-3-one SMILES: CCC(C(=O)CC)O
| PubChem CID | 95609 |
|---|---|
| CAS | 4984-85-4 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:18351 |
| MDL Number | MFCD00043572 |
| SMILES | CCC(C(=O)CC)O |
| Synonym | 4-Hydroxy-3-hexanone |
| IUPAC Name | 4-hydroxyhexan-3-one |
| InChI Key | SKCYVGUCBRYGTE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
7-(Trifluoromethyl)isatin 98.0+%, TCI America™
CAS: 391-12-8 Molecular Formula: C9H4F3NO2 Molecular Weight (g/mol): 215.131 MDL Number: MFCD01248408 InChI Key: MXLDJTXXAYVWDF-UHFFFAOYSA-N Synonym: 7-(Trifluoromethyl)indole-2,3-dione, 7-(Trifluoromethyl)-2,3-indolinedione PubChem CID: 604575 IUPAC Name: 7-(trifluoromethyl)-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)C2=O
| PubChem CID | 604575 |
|---|---|
| CAS | 391-12-8 |
| Molecular Weight (g/mol) | 215.131 |
| MDL Number | MFCD01248408 |
| SMILES | C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)C2=O |
| Synonym | 7-(Trifluoromethyl)indole-2,3-dione, 7-(Trifluoromethyl)-2,3-indolinedione |
| IUPAC Name | 7-(trifluoromethyl)-1H-indole-2,3-dione |
| InChI Key | MXLDJTXXAYVWDF-UHFFFAOYSA-N |
| Molecular Formula | C9H4F3NO2 |
4'-Bromo-3'-nitroacetophenone 98.0+%, TCI America™
CAS: 18640-58-9 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.04 MDL Number: MFCD00016985 InChI Key: YFVOFFKNHQTQQE-UHFFFAOYSA-N Synonym: 1-4-bromo-3-nitrophenyl ethanone,4'-bromo-3'-nitroacetophenone,1-4-bromo-3-nitrophenyl ethan-1-one,4-bromo-3-nitroacetophenone,4-bromo-3'-nitroacetophenone,ethanone, 1-4-bromo-3-nitrophenyl,acmc-209eny,3-nitro-4-bromoacetophenone,4-bromo-3-nitro acetophenone,3'-nitro-4'-bromoacetophenone PubChem CID: 87737 IUPAC Name: 1-(4-bromo-3-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O
| PubChem CID | 87737 |
|---|---|
| CAS | 18640-58-9 |
| Molecular Weight (g/mol) | 244.04 |
| MDL Number | MFCD00016985 |
| SMILES | CC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O |
| Synonym | 1-4-bromo-3-nitrophenyl ethanone,4'-bromo-3'-nitroacetophenone,1-4-bromo-3-nitrophenyl ethan-1-one,4-bromo-3-nitroacetophenone,4-bromo-3'-nitroacetophenone,ethanone, 1-4-bromo-3-nitrophenyl,acmc-209eny,3-nitro-4-bromoacetophenone,4-bromo-3-nitro acetophenone,3'-nitro-4'-bromoacetophenone |
| IUPAC Name | 1-(4-bromo-3-nitrophenyl)ethan-1-one |
| InChI Key | YFVOFFKNHQTQQE-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO3 |
3'-Chloro-4'-methoxyacetophenone 98.0+%, TCI America™
CAS: 37612-52-5 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD04973413 InChI Key: QILWOKAXHOAFOF-UHFFFAOYSA-N Synonym: 3-chloro-4-methoxyacetophenone,1-3-chloro-4-methoxyphenyl ethanone,3'-chloro-4'-methoxyacetophenone,1-3-chloro-4-methoxyphenyl ethan-1-one,ethanone, 1-3-chloro-4-methoxyphenyl,pubchem16367,3-chloro-4-methoxy acetophenone,3'-chloro-4'-methoxy acetophenone,3-cl-4-ch3o-c6h3-coch3 PubChem CID: 520857 IUPAC Name: 1-(3-chloro-4-methoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OC)Cl
| PubChem CID | 520857 |
|---|---|
| CAS | 37612-52-5 |
| Molecular Weight (g/mol) | 184.619 |
| MDL Number | MFCD04973413 |
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)Cl |
| Synonym | 3-chloro-4-methoxyacetophenone,1-3-chloro-4-methoxyphenyl ethanone,3'-chloro-4'-methoxyacetophenone,1-3-chloro-4-methoxyphenyl ethan-1-one,ethanone, 1-3-chloro-4-methoxyphenyl,pubchem16367,3-chloro-4-methoxy acetophenone,3'-chloro-4'-methoxy acetophenone,3-cl-4-ch3o-c6h3-coch3 |
| IUPAC Name | 1-(3-chloro-4-methoxyphenyl)ethanone |
| InChI Key | QILWOKAXHOAFOF-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |
4-Chromanone 98.0+%, TCI America™
CAS: 491-37-2 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00006840 InChI Key: MSTDXOZUKAQDRL-UHFFFAOYSA-N Synonym: 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone PubChem CID: 68110 IUPAC Name: 2,3-dihydrochromen-4-one SMILES: C1COC2=CC=CC=C2C1=O
| PubChem CID | 68110 |
|---|---|
| CAS | 491-37-2 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00006840 |
| SMILES | C1COC2=CC=CC=C2C1=O |
| Synonym | 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone |
| IUPAC Name | 2,3-dihydrochromen-4-one |
| InChI Key | MSTDXOZUKAQDRL-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |