Organooxygen compounds
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4'-Hydroxyacetophenone 98.0+%, TCI America™
CAS: 99-93-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002359 InChI Key: TXFPEBPIARQUIG-UHFFFAOYSA-N Synonym: 4'-hydroxyacetophenone,4-hydroxyacetophenone,1-4-hydroxyphenyl ethanone,4-acetylphenol,p-hydroxyacetophenone,piceol,ethanone, 1-4-hydroxyphenyl,p-acetylphenol,para-hydroxyacetophenone,p-oxyacetophenone PubChem CID: 7469 ChEBI: CHEBI:28032 IUPAC Name: 1-(4-hydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(O)C=C1
| PubChem CID | 7469 |
|---|---|
| CAS | 99-93-4 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28032 |
| MDL Number | MFCD00002359 |
| SMILES | CC(=O)C1=CC=C(O)C=C1 |
| Synonym | 4'-hydroxyacetophenone,4-hydroxyacetophenone,1-4-hydroxyphenyl ethanone,4-acetylphenol,p-hydroxyacetophenone,piceol,ethanone, 1-4-hydroxyphenyl,p-acetylphenol,para-hydroxyacetophenone,p-oxyacetophenone |
| IUPAC Name | 1-(4-hydroxyphenyl)ethan-1-one |
| InChI Key | TXFPEBPIARQUIG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
2'-Acetoxyacetophenone 98.0+%, TCI America™
CAS: 7250-94-4 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017223 InChI Key: WWEDAIJJBDFOOK-UHFFFAOYSA-N Synonym: 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci PubChem CID: 16716 IUPAC Name: 2-acetylphenyl acetate SMILES: CC(=O)OC1=CC=CC=C1C(C)=O
| PubChem CID | 16716 |
|---|---|
| CAS | 7250-94-4 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00017223 |
| SMILES | CC(=O)OC1=CC=CC=C1C(C)=O |
| Synonym | 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci |
| IUPAC Name | 2-acetylphenyl acetate |
| InChI Key | WWEDAIJJBDFOOK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
3,4-Hexanedione 96.0+%, TCI America™
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 |
4'-Dimethylaminoacetophenone 98.0+%, TCI America™
CAS: 2124-31-4 Molecular Formula: C10H13NO Molecular Weight (g/mol): 163.22 MDL Number: MFCD00017246 InChI Key: HUDYANRNMZDQGA-UHFFFAOYSA-N PubChem CID: 75037 IUPAC Name: 1-[4-(dimethylamino)phenyl]ethan-1-one SMILES: CN(C)C1=CC=C(C=C1)C(C)=O
| PubChem CID | 75037 |
|---|---|
| CAS | 2124-31-4 |
| Molecular Weight (g/mol) | 163.22 |
| MDL Number | MFCD00017246 |
| SMILES | CN(C)C1=CC=C(C=C1)C(C)=O |
| IUPAC Name | 1-[4-(dimethylamino)phenyl]ethan-1-one |
| InChI Key | HUDYANRNMZDQGA-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO |
4-Trifluoroacetyl-3-methyl-1-phenyl-5-pyrazolone 96.0+%, TCI America™
CAS: 1691-93-6 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD00143378 InChI Key: XJJDGTPFEFAAMV-UHFFFAOYSA-N Synonym: 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone PubChem CID: 781778 IUPAC Name: 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3-one SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(F)(F)F
| PubChem CID | 781778 |
|---|---|
| CAS | 1691-93-6 |
| Molecular Weight (g/mol) | 270.211 |
| MDL Number | MFCD00143378 |
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(F)(F)F |
| Synonym | 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone |
| IUPAC Name | 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3-one |
| InChI Key | XJJDGTPFEFAAMV-UHFFFAOYSA-N |
| Molecular Formula | C12H9F3N2O2 |
Dodecanophenone 98.0+%, TCI America™
CAS: 1674-38-0 Molecular Formula: C18H28O Molecular Weight (g/mol): 260.421 MDL Number: MFCD00008967 InChI Key: DJNJZIFFCJTUDS-UHFFFAOYSA-N Synonym: dodecanophenone,laurophenone,1-dodecanone, 1-phenyl,phenyl undecyl ketone,1-phenyl-1-dodecanone,phenyl n-undecyl ketone,n-dodecanophenone,undecyl phenyl ketone,maybridge1_003217 PubChem CID: 74292 IUPAC Name: 1-phenyldodecan-1-one SMILES: CCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 74292 |
|---|---|
| CAS | 1674-38-0 |
| Molecular Weight (g/mol) | 260.421 |
| MDL Number | MFCD00008967 |
| SMILES | CCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | dodecanophenone,laurophenone,1-dodecanone, 1-phenyl,phenyl undecyl ketone,1-phenyl-1-dodecanone,phenyl n-undecyl ketone,n-dodecanophenone,undecyl phenyl ketone,maybridge1_003217 |
| IUPAC Name | 1-phenyldodecan-1-one |
| InChI Key | DJNJZIFFCJTUDS-UHFFFAOYSA-N |
| Molecular Formula | C18H28O |
4-Methyl-2-oxovaleric Acid 95.0+%, TCI America™
CAS: 816-66-0 Molecular Formula: C6H9NaO3 Molecular Weight (g/mol): 152.13 MDL Number: MFCD00066204 InChI Key: IXFAZKRLPPMQEO-UHFFFAOYSA-M Synonym: 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate PubChem CID: 70 ChEBI: CHEBI:48430 IUPAC Name: sodium 4-methyl-2-oxopentanoate SMILES: [Na+].CC(C)CC(=O)C([O-])=O
| PubChem CID | 70 |
|---|---|
| CAS | 816-66-0 |
| Molecular Weight (g/mol) | 152.13 |
| ChEBI | CHEBI:48430 |
| MDL Number | MFCD00066204 |
| SMILES | [Na+].CC(C)CC(=O)C([O-])=O |
| Synonym | 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate |
| IUPAC Name | sodium 4-methyl-2-oxopentanoate |
| InChI Key | IXFAZKRLPPMQEO-UHFFFAOYSA-M |
| Molecular Formula | C6H9NaO3 |
2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione 98.0+%, TCI America™
CAS: 1196107-73-9 Molecular Formula: C23H15BrO2 Molecular Weight (g/mol): 403.275 MDL Number: MFCD20275103 InChI Key: NREMKCAHBDRWFB-UHFFFAOYSA-N PubChem CID: 58175361 SMILES: CC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(=O)C5=CC=CC=C5C3=O)C
| PubChem CID | 58175361 |
|---|---|
| CAS | 1196107-73-9 |
| Molecular Weight (g/mol) | 403.275 |
| MDL Number | MFCD20275103 |
| SMILES | CC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(=O)C5=CC=CC=C5C3=O)C |
| InChI Key | NREMKCAHBDRWFB-UHFFFAOYSA-N |
| Molecular Formula | C23H15BrO2 |
Cyclopropyl Phenyl Ketone 98.0+%, TCI America™
CAS: 3481-02-5 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00001294 InChI Key: PJRHFTYXYCVOSJ-UHFFFAOYSA-N Synonym: cyclopropyl phenyl ketone,cyclopropyl phenyl methanone,phenyl cyclopropyl ketone,benzoylcyclopropane,methanone, cyclopropylphenyl,cyclopropylphenylketone,ketone, cyclopropyl phenyl,cyclopropyl-phenylmethanone,acmc-2097dl,cyclopropyl-phenyl-methanone PubChem CID: 77029 IUPAC Name: cyclopropyl(phenyl)methanone SMILES: C1CC1C(=O)C2=CC=CC=C2
| PubChem CID | 77029 |
|---|---|
| CAS | 3481-02-5 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD00001294 |
| SMILES | C1CC1C(=O)C2=CC=CC=C2 |
| Synonym | cyclopropyl phenyl ketone,cyclopropyl phenyl methanone,phenyl cyclopropyl ketone,benzoylcyclopropane,methanone, cyclopropylphenyl,cyclopropylphenylketone,ketone, cyclopropyl phenyl,cyclopropyl-phenylmethanone,acmc-2097dl,cyclopropyl-phenyl-methanone |
| IUPAC Name | cyclopropyl(phenyl)methanone |
| InChI Key | PJRHFTYXYCVOSJ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O |
Ethyl 3-(4-Cyanophenyl)-3-oxopropionate 98.0+%, TCI America™
CAS: 49744-93-6 Molecular Formula: C12H11NO3 Molecular Weight (g/mol): 217.224 MDL Number: MFCD00029621 InChI Key: ITKQVWKZLCNILF-UHFFFAOYSA-N Synonym: 3-(4-Cyanophenyl)-3-oxopropionic Acid Ethyl Ester PubChem CID: 2757969 IUPAC Name: ethyl 3-(4-cyanophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)C#N
| PubChem CID | 2757969 |
|---|---|
| CAS | 49744-93-6 |
| Molecular Weight (g/mol) | 217.224 |
| MDL Number | MFCD00029621 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)C#N |
| Synonym | 3-(4-Cyanophenyl)-3-oxopropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-(4-cyanophenyl)-3-oxopropanoate |
| InChI Key | ITKQVWKZLCNILF-UHFFFAOYSA-N |
| Molecular Formula | C12H11NO3 |
2-Acetyl-5-bromothiophene 98.0+%, TCI America™
CAS: 5370-25-2 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.069 MDL Number: MFCD00014528 InChI Key: IGBZCOWXSCWSHO-UHFFFAOYSA-N Synonym: 2-acetyl-5-bromothiophene,1-5-bromothiophen-2-yl ethanone,ethanone, 1-5-bromo-2-thienyl,1-5-bromo-2-thienyl ethan-1-one,1-5-bromothiophen-2-yl ethan-1-one,5-bromo-2-thienyl methyl ketone,2-acetyl-5-bromo thiophene,ketone, 5-bromo-2-thienyl methyl,2-acetyl-5-bromo-thiophene,1-5-bromo-2-thienyl ethanone PubChem CID: 79335 IUPAC Name: 1-(5-bromothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Br
| PubChem CID | 79335 |
|---|---|
| CAS | 5370-25-2 |
| Molecular Weight (g/mol) | 205.069 |
| MDL Number | MFCD00014528 |
| SMILES | CC(=O)C1=CC=C(S1)Br |
| Synonym | 2-acetyl-5-bromothiophene,1-5-bromothiophen-2-yl ethanone,ethanone, 1-5-bromo-2-thienyl,1-5-bromo-2-thienyl ethan-1-one,1-5-bromothiophen-2-yl ethan-1-one,5-bromo-2-thienyl methyl ketone,2-acetyl-5-bromo thiophene,ketone, 5-bromo-2-thienyl methyl,2-acetyl-5-bromo-thiophene,1-5-bromo-2-thienyl ethanone |
| IUPAC Name | 1-(5-bromothiophen-2-yl)ethanone |
| InChI Key | IGBZCOWXSCWSHO-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrOS |
3'-Benzyloxyacetophenone 98.0+%, TCI America™
CAS: 34068-01-4 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00026221 InChI Key: FGQMEAWGAUALJQ-UHFFFAOYSA-N Synonym: 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene PubChem CID: 98689 IUPAC Name: 1-(3-phenylmethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2
| PubChem CID | 98689 |
|---|---|
| CAS | 34068-01-4 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD00026221 |
| SMILES | CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2 |
| Synonym | 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene |
| IUPAC Name | 1-(3-phenylmethoxyphenyl)ethanone |
| InChI Key | FGQMEAWGAUALJQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
Tetradecanophenone 98.0+%, TCI America™
CAS: 4497-05-6 Molecular Formula: C20H32O Molecular Weight (g/mol): 288.48 MDL Number: MFCD00008985 InChI Key: LXUIUVLDNRQBQJ-UHFFFAOYSA-N Synonym: Myristophenone, Phenyl Tridecyl Ketone PubChem CID: 78248 IUPAC Name: 1-phenyltetradecan-1-one SMILES: CCCCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 78248 |
|---|---|
| CAS | 4497-05-6 |
| Molecular Weight (g/mol) | 288.48 |
| MDL Number | MFCD00008985 |
| SMILES | CCCCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | Myristophenone, Phenyl Tridecyl Ketone |
| IUPAC Name | 1-phenyltetradecan-1-one |
| InChI Key | LXUIUVLDNRQBQJ-UHFFFAOYSA-N |
| Molecular Formula | C20H32O |
2',4',6'-Trihydroxy-2-phenylacetophenone 96.0+%, TCI America™
CAS: 727-71-9 Molecular Formula: C14H12O4 Molecular Weight (g/mol): 244.25 MDL Number: MFCD00205539 InChI Key: SLHBRIIHMDJIBT-UHFFFAOYSA-N Synonym: Benzyl 2,4,6-Trihydroxyphenyl Ketone PubChem CID: 689111 IUPAC Name: 2-phenyl-1-(2,4,6-trihydroxyphenyl)ethan-1-one SMILES: OC1=CC(O)=C(C(=O)CC2=CC=CC=C2)C(O)=C1
| PubChem CID | 689111 |
|---|---|
| CAS | 727-71-9 |
| Molecular Weight (g/mol) | 244.25 |
| MDL Number | MFCD00205539 |
| SMILES | OC1=CC(O)=C(C(=O)CC2=CC=CC=C2)C(O)=C1 |
| Synonym | Benzyl 2,4,6-Trihydroxyphenyl Ketone |
| IUPAC Name | 2-phenyl-1-(2,4,6-trihydroxyphenyl)ethan-1-one |
| InChI Key | SLHBRIIHMDJIBT-UHFFFAOYSA-N |
| Molecular Formula | C14H12O4 |