Organooxygen compounds
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2-Methylanthraquinone, 97%
CAS: 84-54-8 Molecular Formula: C15H10O2 Molecular Weight (g/mol): 222.243 MDL Number: MFCD00001235 InChI Key: NJWGQARXZDRHCD-UHFFFAOYSA-N Synonym: 2-methylanthraquinone,tectoquinone,2-methyl anthraquinone,techtoquinone,tectochinon,2-methyl-9,10-anthraquinone,9,10-anthracenedione, 2-methyl,beta-methylanthraquinone,2-methylanthra-9,10-quinone,anthraquinone, 2-methyl PubChem CID: 6773 ChEBI: CHEBI:9427 IUPAC Name: 2-methylanthracene-9,10-dione SMILES: CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
| PubChem CID | 6773 |
|---|---|
| CAS | 84-54-8 |
| Molecular Weight (g/mol) | 222.243 |
| ChEBI | CHEBI:9427 |
| MDL Number | MFCD00001235 |
| SMILES | CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O |
| Synonym | 2-methylanthraquinone,tectoquinone,2-methyl anthraquinone,techtoquinone,tectochinon,2-methyl-9,10-anthraquinone,9,10-anthracenedione, 2-methyl,beta-methylanthraquinone,2-methylanthra-9,10-quinone,anthraquinone, 2-methyl |
| IUPAC Name | 2-methylanthracene-9,10-dione |
| InChI Key | NJWGQARXZDRHCD-UHFFFAOYSA-N |
| Molecular Formula | C15H10O2 |
3',5'-Dimethylacetophenone, 97%
CAS: 5379-16-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD01075693 InChI Key: BKIHFZLJJUNKMZ-UHFFFAOYSA-N Synonym: 1-3,5-dimethylphenyl ethanone,3,5-dimethylacetophenone,3',5'-dimethylacetophenone,1-3,5-dimethylphenyl ethan-1-one,ethanone, 1-dimethylphenyl,ethanone, 1-3,5-dimethylphenyl,1-dimethylphenyl ethan-1-one,pubchem24402,3', 5'-dimethylacetophenone,3',5'-dimethyl acetophenone PubChem CID: 14921 IUPAC Name: 1-(3,5-dimethylphenyl)ethanone SMILES: CC1=CC(=CC(=C1)C(=O)C)C
| PubChem CID | 14921 |
|---|---|
| CAS | 5379-16-8 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD01075693 |
| SMILES | CC1=CC(=CC(=C1)C(=O)C)C |
| Synonym | 1-3,5-dimethylphenyl ethanone,3,5-dimethylacetophenone,3',5'-dimethylacetophenone,1-3,5-dimethylphenyl ethan-1-one,ethanone, 1-dimethylphenyl,ethanone, 1-3,5-dimethylphenyl,1-dimethylphenyl ethan-1-one,pubchem24402,3', 5'-dimethylacetophenone,3',5'-dimethyl acetophenone |
| IUPAC Name | 1-(3,5-dimethylphenyl)ethanone |
| InChI Key | BKIHFZLJJUNKMZ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
5'-Bromo-2'-hydroxyacetophenone, 98%
CAS: 1450-75-5 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.04 MDL Number: MFCD00191850 InChI Key: HQCCNFFIOWYINW-UHFFFAOYSA-N Synonym: 5'-bromo-2'-hydroxyacetophenone,1-5-bromo-2-hydroxyphenyl ethanone,2-acetyl-4-bromophenol,5-bromo-2-hydroxyacetophenone,2'-hydroxy-5'-bromoacetophenone,1-5-bromo-2-hydroxyphenyl ethan-1-one,ethanone, 1-5-bromo-2-hydroxyphenyl,2-hydroxy-5-bromoacetophenone,1-5-bromo-2-hydroxyphenyl-ethanon PubChem CID: 95991 IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)Br)O
| PubChem CID | 95991 |
|---|---|
| CAS | 1450-75-5 |
| Molecular Weight (g/mol) | 215.04 |
| MDL Number | MFCD00191850 |
| SMILES | CC(=O)C1=C(C=CC(=C1)Br)O |
| Synonym | 5'-bromo-2'-hydroxyacetophenone,1-5-bromo-2-hydroxyphenyl ethanone,2-acetyl-4-bromophenol,5-bromo-2-hydroxyacetophenone,2'-hydroxy-5'-bromoacetophenone,1-5-bromo-2-hydroxyphenyl ethan-1-one,ethanone, 1-5-bromo-2-hydroxyphenyl,2-hydroxy-5-bromoacetophenone,1-5-bromo-2-hydroxyphenyl-ethanon |
| IUPAC Name | 1-(5-bromo-2-hydroxyphenyl)ethanone |
| InChI Key | HQCCNFFIOWYINW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
3-Acetylindole, 98%
CAS: 703-80-0 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00005626 InChI Key: VUIMBZIZZFSQEE-UHFFFAOYSA-N Synonym: 3-acetylindole,1-1h-indol-3-yl ethanone,3-acetyl-1h-indole,ethanone, 1-1h-indol-3-yl,acetyl-3-indole,1-1h-indol-3-yl-ethanone,ketone, indol-3-yl methyl,3-acetyl indole,indol-3-yl methyl ketone,1-1h-indol-3-yl ethan-1-one PubChem CID: 12802 IUPAC Name: 1-(1H-indol-3-yl)ethanone SMILES: CC(=O)C1=CNC2=CC=CC=C21
| PubChem CID | 12802 |
|---|---|
| CAS | 703-80-0 |
| Molecular Weight (g/mol) | 159.188 |
| MDL Number | MFCD00005626 |
| SMILES | CC(=O)C1=CNC2=CC=CC=C21 |
| Synonym | 3-acetylindole,1-1h-indol-3-yl ethanone,3-acetyl-1h-indole,ethanone, 1-1h-indol-3-yl,acetyl-3-indole,1-1h-indol-3-yl-ethanone,ketone, indol-3-yl methyl,3-acetyl indole,indol-3-yl methyl ketone,1-1h-indol-3-yl ethan-1-one |
| IUPAC Name | 1-(1H-indol-3-yl)ethanone |
| InChI Key | VUIMBZIZZFSQEE-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
4-Chlorobenzoylacetonitrile, 98%
CAS: 4640-66-8 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00051625 InChI Key: JYOUFPNYTOFCSJ-UHFFFAOYSA-N Synonym: 4-chlorobenzoylacetonitrile,3-4-chlorophenyl-3-oxopropanenitrile,4-chlorophenacylcyanide,p-chlorophenacyl cyanide,4-chlorobenzoyl acetonitrile,3-4-chloro-phenyl-3-oxo-propionitrile,4-chlorobenzoylacetonitirle,zlchem 1256,pubchem12045,acmc-1akag PubChem CID: 138308 IUPAC Name: 3-(4-chlorophenyl)-3-oxopropanenitrile SMILES: C1=CC(=CC=C1C(=O)CC#N)Cl
| PubChem CID | 138308 |
|---|---|
| CAS | 4640-66-8 |
| Molecular Weight (g/mol) | 179.603 |
| MDL Number | MFCD00051625 |
| SMILES | C1=CC(=CC=C1C(=O)CC#N)Cl |
| Synonym | 4-chlorobenzoylacetonitrile,3-4-chlorophenyl-3-oxopropanenitrile,4-chlorophenacylcyanide,p-chlorophenacyl cyanide,4-chlorobenzoyl acetonitrile,3-4-chloro-phenyl-3-oxo-propionitrile,4-chlorobenzoylacetonitirle,zlchem 1256,pubchem12045,acmc-1akag |
| IUPAC Name | 3-(4-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | JYOUFPNYTOFCSJ-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
5-Acetylsalicylic acid, 98+%
CAS: 13110-96-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00013978 InChI Key: NZRDKNBIPVLNHA-UHFFFAOYSA-N PubChem CID: 83151 IUPAC Name: 5-acetyl-2-hydroxybenzoic acid SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)O
| PubChem CID | 83151 |
|---|---|
| CAS | 13110-96-8 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00013978 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)C(=O)O |
| IUPAC Name | 5-acetyl-2-hydroxybenzoic acid |
| InChI Key | NZRDKNBIPVLNHA-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
3-(4-Fluorobenzoyl)propionic acid, 97%
CAS: 366-77-8 Molecular Formula: C10H9FO3 Molecular Weight (g/mol): 196.177 MDL Number: MFCD00002793 InChI Key: WUYWHIAAQYQKPP-UHFFFAOYSA-N Synonym: 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid PubChem CID: 101359 IUPAC Name: 4-(4-fluorophenyl)-4-oxobutanoic acid SMILES: C1=CC(=CC=C1C(=O)CCC(=O)O)F
| PubChem CID | 101359 |
|---|---|
| CAS | 366-77-8 |
| Molecular Weight (g/mol) | 196.177 |
| MDL Number | MFCD00002793 |
| SMILES | C1=CC(=CC=C1C(=O)CCC(=O)O)F |
| Synonym | 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid |
| IUPAC Name | 4-(4-fluorophenyl)-4-oxobutanoic acid |
| InChI Key | WUYWHIAAQYQKPP-UHFFFAOYSA-N |
| Molecular Formula | C10H9FO3 |
2-Fluorocyclohexanone, 96%
CAS: 694-82-6 Molecular Formula: C6H9FO Molecular Weight (g/mol): 116.135 MDL Number: MFCD01076476 InChI Key: VQYOFTVCYSPHPG-UHFFFAOYSA-N Synonym: 2-fluorocyclohexanone,cyclohexanone, 2-fluoro,2-fluorocylcohexanone,acmc-209o8v,2-fluoro-cyclohexan-1-one PubChem CID: 11829404 IUPAC Name: 2-fluorocyclohexan-1-one SMILES: C1CCC(=O)C(C1)F
| PubChem CID | 11829404 |
|---|---|
| CAS | 694-82-6 |
| Molecular Weight (g/mol) | 116.135 |
| MDL Number | MFCD01076476 |
| SMILES | C1CCC(=O)C(C1)F |
| Synonym | 2-fluorocyclohexanone,cyclohexanone, 2-fluoro,2-fluorocylcohexanone,acmc-209o8v,2-fluoro-cyclohexan-1-one |
| IUPAC Name | 2-fluorocyclohexan-1-one |
| InChI Key | VQYOFTVCYSPHPG-UHFFFAOYSA-N |
| Molecular Formula | C6H9FO |
2-Ethylanthraquinone, 98%
CAS: 84-51-5 Molecular Formula: C16H12O2 Molecular Weight (g/mol): 236.27 MDL Number: MFCD00001237 InChI Key: SJEBAWHUJDUKQK-UHFFFAOYSA-N Synonym: 2-ethylanthraquinone,2-ethyl anthraquinone,2-ethyl-9,10-anthraquinone,anthraquinone, 2-ethyl,9,10-anthracenedione, 2-ethyl,usaf so-1,beta-ethylanthraquinone,unii-59yj81qzkd,59yj81qzkd,2-ethylanthra-9,10-quinone PubChem CID: 6772 IUPAC Name: 2-ethylanthracene-9,10-dione SMILES: CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
| PubChem CID | 6772 |
|---|---|
| CAS | 84-51-5 |
| Molecular Weight (g/mol) | 236.27 |
| MDL Number | MFCD00001237 |
| SMILES | CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O |
| Synonym | 2-ethylanthraquinone,2-ethyl anthraquinone,2-ethyl-9,10-anthraquinone,anthraquinone, 2-ethyl,9,10-anthracenedione, 2-ethyl,usaf so-1,beta-ethylanthraquinone,unii-59yj81qzkd,59yj81qzkd,2-ethylanthra-9,10-quinone |
| IUPAC Name | 2-ethylanthracene-9,10-dione |
| InChI Key | SJEBAWHUJDUKQK-UHFFFAOYSA-N |
| Molecular Formula | C16H12O2 |
4'-Aminoacetophenone, 99%
CAS: 99-92-3 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007896 InChI Key: GPRYKVSEZCQIHD-UHFFFAOYSA-N Synonym: 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino PubChem CID: 7468 IUPAC Name: 1-(4-aminophenyl)ethanone SMILES: CC(=O)C1=CC=C(N)C=C1
| PubChem CID | 7468 |
|---|---|
| CAS | 99-92-3 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00007896 |
| SMILES | CC(=O)C1=CC=C(N)C=C1 |
| Synonym | 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino |
| IUPAC Name | 1-(4-aminophenyl)ethanone |
| InChI Key | GPRYKVSEZCQIHD-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
3-(4-Methoxybenzoyl)propionic acid, 98+%
CAS: 3153-44-4 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00002795 InChI Key: OMTDIBZSUZNVJK-UHFFFAOYSA-N Synonym: 3-4-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxobutanoic acid,4-4-methoxyphenyl-4-oxobutyric acid,3-4-methoxybenzoyl propanoic acid,beta-p-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxo-butyric acid,4-4-methoxyphenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-methoxy-gamma-oxo,maybridge1_002003,acmc-1cl1u PubChem CID: 76613 IUPAC Name: 4-(4-methoxyphenyl)-4-oxobutanoic acid SMILES: COC1=CC=C(C=C1)C(=O)CCC(=O)O
| PubChem CID | 76613 |
|---|---|
| CAS | 3153-44-4 |
| Molecular Weight (g/mol) | 208.213 |
| MDL Number | MFCD00002795 |
| SMILES | COC1=CC=C(C=C1)C(=O)CCC(=O)O |
| Synonym | 3-4-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxobutanoic acid,4-4-methoxyphenyl-4-oxobutyric acid,3-4-methoxybenzoyl propanoic acid,beta-p-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxo-butyric acid,4-4-methoxyphenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-methoxy-gamma-oxo,maybridge1_002003,acmc-1cl1u |
| IUPAC Name | 4-(4-methoxyphenyl)-4-oxobutanoic acid |
| InChI Key | OMTDIBZSUZNVJK-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |
2-Chloro-3',4'-dihydroxyacetophenone, 97%
CAS: 99-40-1 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00002200 InChI Key: LWTJEJCZJFZKEL-UHFFFAOYSA-N Synonym: 2-chloro-3',4'-dihydroxyacetophenone,2-chloro-1-3,4-dihydroxyphenyl ethanone,4-chloroacetyl catechol,3,4-dihydroxyphenacyl chloride,ethanone, 2-chloro-1-3,4-dihydroxyphenyl,unii-fn6949l56q,3',4'-dihydroxy-2-chloroacetophenone,chloromethyl 3,4-dihydroxyphenyl ketone,2-chloro-3,4-dihydroxyacetophenone,.alpha.-chloro-3,4-dihydroxyacetophenone PubChem CID: 66834 ChEBI: CHEBI:51844 IUPAC Name: 2-chloro-1-(3,4-dihydroxyphenyl)ethanone SMILES: C1=CC(=C(C=C1C(=O)CCl)O)O
| PubChem CID | 66834 |
|---|---|
| CAS | 99-40-1 |
| Molecular Weight (g/mol) | 186.591 |
| ChEBI | CHEBI:51844 |
| MDL Number | MFCD00002200 |
| SMILES | C1=CC(=C(C=C1C(=O)CCl)O)O |
| Synonym | 2-chloro-3',4'-dihydroxyacetophenone,2-chloro-1-3,4-dihydroxyphenyl ethanone,4-chloroacetyl catechol,3,4-dihydroxyphenacyl chloride,ethanone, 2-chloro-1-3,4-dihydroxyphenyl,unii-fn6949l56q,3',4'-dihydroxy-2-chloroacetophenone,chloromethyl 3,4-dihydroxyphenyl ketone,2-chloro-3,4-dihydroxyacetophenone,.alpha.-chloro-3,4-dihydroxyacetophenone |
| IUPAC Name | 2-chloro-1-(3,4-dihydroxyphenyl)ethanone |
| InChI Key | LWTJEJCZJFZKEL-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3 |
2-Acetyl-5-chlorothiophene, 99%
CAS: 6310-09-4 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00005444 InChI Key: HTZGPEHWQCRXGZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene PubChem CID: 80572 IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Cl
| PubChem CID | 80572 |
|---|---|
| CAS | 6310-09-4 |
| Molecular Weight (g/mol) | 160.62 |
| MDL Number | MFCD00005444 |
| SMILES | CC(=O)C1=CC=C(S1)Cl |
| Synonym | 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene |
| IUPAC Name | 1-(5-chlorothiophen-2-yl)ethanone |
| InChI Key | HTZGPEHWQCRXGZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClOS |
3-Bromo-4-heptanone, 98%
CAS: 42330-10-9 Molecular Formula: C7H13BrO Molecular Weight (g/mol): 193.08 MDL Number: MFCD09757526 InChI Key: SFKVBRLKXVRUQW-UHFFFAOYNA-N Synonym: 3-bromo-4-heptanone,4-heptanone, 3-bromo PubChem CID: 11469593 IUPAC Name: 3-bromoheptan-4-one SMILES: CCCC(=O)C(Br)CC
| PubChem CID | 11469593 |
|---|---|
| CAS | 42330-10-9 |
| Molecular Weight (g/mol) | 193.08 |
| MDL Number | MFCD09757526 |
| SMILES | CCCC(=O)C(Br)CC |
| Synonym | 3-bromo-4-heptanone,4-heptanone, 3-bromo |
| IUPAC Name | 3-bromoheptan-4-one |
| InChI Key | SFKVBRLKXVRUQW-UHFFFAOYNA-N |
| Molecular Formula | C7H13BrO |
4-Benzoylpiperidine hydrochloride, 98%
CAS: 25519-80-6 Molecular Formula: C12H15NO·ClH Molecular Weight (g/mol): 225.72 MDL Number: MFCD00066982 InChI Key: NXYKIFZJQXOUJS-UHFFFAOYSA-N Synonym: 4-benzoylpiperidine hydrochloride,phenyl piperidin-4-yl methanone hydrochloride,4-benzoylpiperidine hcl,phenyl 4-piperidyl methanone hydrochloride,4-benzoyl piperidine hydrochloride,4-benzoylpiperidine hydrogen chloride,methanone, phenyl-4-piperidinyl-, hydrochloride,phenyl 4-piperidyl ketone, chloride,4-benzoyl piperidine hcl,pubchem9881 PubChem CID: 2724437 IUPAC Name: phenyl(piperidin-4-yl)methanone;hydrochloride SMILES: C1CNCCC1C(=O)C2=CC=CC=C2.Cl
| PubChem CID | 2724437 |
|---|---|
| CAS | 25519-80-6 |
| Molecular Weight (g/mol) | 225.72 |
| MDL Number | MFCD00066982 |
| SMILES | C1CNCCC1C(=O)C2=CC=CC=C2.Cl |
| Synonym | 4-benzoylpiperidine hydrochloride,phenyl piperidin-4-yl methanone hydrochloride,4-benzoylpiperidine hcl,phenyl 4-piperidyl methanone hydrochloride,4-benzoyl piperidine hydrochloride,4-benzoylpiperidine hydrogen chloride,methanone, phenyl-4-piperidinyl-, hydrochloride,phenyl 4-piperidyl ketone, chloride,4-benzoyl piperidine hcl,pubchem9881 |
| IUPAC Name | phenyl(piperidin-4-yl)methanone;hydrochloride |
| InChI Key | NXYKIFZJQXOUJS-UHFFFAOYSA-N |
| Molecular Formula | C12H15NO·ClH |