Organooxygen compounds
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4-Methyl-2-oxovaleric Acid 95.0+%, TCI America™
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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 |
Ethyl (4-Bromobenzoyl)acetate 98.0+%, TCI America™
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CAS: 26510-95-2 Molecular Formula: C11H11BrO3 Molecular Weight (g/mol): 271.11 MDL Number: MFCD00231243 InChI Key: PBDYXCKRDRCJDC-UHFFFAOYSA-N Synonym: ethyl 3-4-bromophenyl-3-oxopropanoate,ethyl 4-bromobenzoyl acetate,ethyl 4-bromobenzoylacetate,3-4-bromo-phenyl-3-oxo-propionic acid ethyl ester,3-4-bromophenyl-3-oxo-propionic acid ethyl ester,ethyl 3-4-bromophenyl-3-oxo-propionate,benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester,ethyl p-bromobenzoyl acetate,benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester PubChem CID: 2757149 IUPAC Name: ethyl 3-(4-bromophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)Br
| PubChem CID | 2757149 |
|---|---|
| CAS | 26510-95-2 |
| Molecular Weight (g/mol) | 271.11 |
| MDL Number | MFCD00231243 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)Br |
| Synonym | ethyl 3-4-bromophenyl-3-oxopropanoate,ethyl 4-bromobenzoyl acetate,ethyl 4-bromobenzoylacetate,3-4-bromo-phenyl-3-oxo-propionic acid ethyl ester,3-4-bromophenyl-3-oxo-propionic acid ethyl ester,ethyl 3-4-bromophenyl-3-oxo-propionate,benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester,ethyl p-bromobenzoyl acetate,benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester |
| IUPAC Name | ethyl 3-(4-bromophenyl)-3-oxopropanoate |
| InChI Key | PBDYXCKRDRCJDC-UHFFFAOYSA-N |
| Molecular Formula | C11H11BrO3 |
cis-3,3,5-Trimethylcyclohexanol (contains ca. 20% trans- isomer) 80.0+%, TCI America™
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CAS: 116-02-9 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.242 MDL Number: MFCD00019378 InChI Key: BRRVXFOKWJKTGG-UHFFFAOYSA-N Synonym: 3,3,5-trimethylcyclohexanol,cyclonol,homomenthol,cyclohexanol, 3,3,5-trimethyl,isophorol, dihydro,trimethylcyclohexanol,dihydroisophorol,3,3,5-trimethyl-1-cyclohexanol,3,5,5-trimethylcyclohexanol,1-methyl-3-dimethylcyclohexanol-5 PubChem CID: 8298 ChEBI: CHEBI:59065 IUPAC Name: 3,3,5-trimethylcyclohexan-1-ol SMILES: CC1CC(CC(C1)(C)C)O
| PubChem CID | 8298 |
|---|---|
| CAS | 116-02-9 |
| Molecular Weight (g/mol) | 142.242 |
| ChEBI | CHEBI:59065 |
| MDL Number | MFCD00019378 |
| SMILES | CC1CC(CC(C1)(C)C)O |
| Synonym | 3,3,5-trimethylcyclohexanol,cyclonol,homomenthol,cyclohexanol, 3,3,5-trimethyl,isophorol, dihydro,trimethylcyclohexanol,dihydroisophorol,3,3,5-trimethyl-1-cyclohexanol,3,5,5-trimethylcyclohexanol,1-methyl-3-dimethylcyclohexanol-5 |
| IUPAC Name | 3,3,5-trimethylcyclohexan-1-ol |
| InChI Key | BRRVXFOKWJKTGG-UHFFFAOYSA-N |
| Molecular Formula | C9H18O |
Quinizarin 97.0+%, TCI America™
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CAS: 81-64-1 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001209 InChI Key: GUEIZVNYDFNHJU-UHFFFAOYSA-N Synonym: quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy PubChem CID: 6688 ChEBI: CHEBI:37487 IUPAC Name: 1,4-dihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
| PubChem CID | 6688 |
|---|---|
| CAS | 81-64-1 |
| Molecular Weight (g/mol) | 240.214 |
| ChEBI | CHEBI:37487 |
| MDL Number | MFCD00001209 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O |
| Synonym | quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy |
| IUPAC Name | 1,4-dihydroxyanthracene-9,10-dione |
| InChI Key | GUEIZVNYDFNHJU-UHFFFAOYSA-N |
| Molecular Formula | C14H8O4 |
4-Methoxy-3,5-dimethyl-2-pyridinemethanol 98.0+%, TCI America™
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CAS: 86604-78-6 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.21 MDL Number: MFCD01076195 InChI Key: PSEPRWKZZJWRCB-UHFFFAOYSA-N Synonym: 2-Hydroxymethyl-4-methoxy-3,5-dimethylpyridine PubChem CID: 737823 IUPAC Name: (4-methoxy-3,5-dimethylpyridin-2-yl)methanol SMILES: COC1=C(C)C=NC(CO)=C1C
| PubChem CID | 737823 |
|---|---|
| CAS | 86604-78-6 |
| Molecular Weight (g/mol) | 167.21 |
| MDL Number | MFCD01076195 |
| SMILES | COC1=C(C)C=NC(CO)=C1C |
| Synonym | 2-Hydroxymethyl-4-methoxy-3,5-dimethylpyridine |
| IUPAC Name | (4-methoxy-3,5-dimethylpyridin-2-yl)methanol |
| InChI Key | PSEPRWKZZJWRCB-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2 |
2-(Dicyanomethylene)indan-1,3-dione 98.0+%, TCI America™
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CAS: 90522-66-0 Molecular Formula: C12H4N2O2 Molecular Weight (g/mol): 208.176 MDL Number: MFCD00051930 InChI Key: WQFLMIPTYDGFOB-UHFFFAOYSA-N PubChem CID: 542782 IUPAC Name: 2-(1,3-dioxoinden-2-ylidene)propanedinitrile SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C#N)C#N)C2=O
| PubChem CID | 542782 |
|---|---|
| CAS | 90522-66-0 |
| Molecular Weight (g/mol) | 208.176 |
| MDL Number | MFCD00051930 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C#N)C#N)C2=O |
| IUPAC Name | 2-(1,3-dioxoinden-2-ylidene)propanedinitrile |
| InChI Key | WQFLMIPTYDGFOB-UHFFFAOYSA-N |
| Molecular Formula | C12H4N2O2 |
4-tert-Butylcalix[5]arene 98.0+%, TCI America™
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CAS: 81475-22-1 Molecular Formula: C55H70O5 Molecular Weight (g/mol): 811.16 MDL Number: MFCD00210028 InChI Key: HTJNUHSOASZVHV-UHFFFAOYSA-N Synonym: 4-tert-butylcalix 5 arene,p-tert-butylcalix 5 arene,penta-tert-butyl pentahydroxy calix 5 arene PubChem CID: 2725100 SMILES: CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)C2)O)O)C(C)(C)C)C(C)(C)C)O
| PubChem CID | 2725100 |
|---|---|
| CAS | 81475-22-1 |
| Molecular Weight (g/mol) | 811.16 |
| MDL Number | MFCD00210028 |
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)C2)O)O)C(C)(C)C)C(C)(C)C)O |
| Synonym | 4-tert-butylcalix 5 arene,p-tert-butylcalix 5 arene,penta-tert-butyl pentahydroxy calix 5 arene |
| InChI Key | HTJNUHSOASZVHV-UHFFFAOYSA-N |
| Molecular Formula | C55H70O5 |
2,4,7,9-Tetramethyl-5-decyne-4,7-diol (DL- and meso- mixture) 95.0+%, TCI America™
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CAS: 126-86-3 Molecular Formula: C14H26O2 Molecular Weight (g/mol): 226.36 MDL Number: MFCD00008942 InChI Key: LXOFYPKXCSULTL-UHFFFAOYNA-N Synonym: 2,4,7,9-tetramethyl-5-decyne-4,7-diol,surfynol 104,surfynol 104a,surfynol 104e,surfynol tg,syrfynol 104,tetramethyl decynediol,5-decyne-4,7-diol, 2,4,7,9-tetramethyl,surfynol 104pa,1,4-diisobutyl-1,4-dimethylbutynediol PubChem CID: 31362 IUPAC Name: 2,4,7,9-tetramethyldec-5-yne-4,7-diol SMILES: CC(C)CC(C)(O)C#CC(C)(O)CC(C)C
| PubChem CID | 31362 |
|---|---|
| CAS | 126-86-3 |
| Molecular Weight (g/mol) | 226.36 |
| MDL Number | MFCD00008942 |
| SMILES | CC(C)CC(C)(O)C#CC(C)(O)CC(C)C |
| Synonym | 2,4,7,9-tetramethyl-5-decyne-4,7-diol,surfynol 104,surfynol 104a,surfynol 104e,surfynol tg,syrfynol 104,tetramethyl decynediol,5-decyne-4,7-diol, 2,4,7,9-tetramethyl,surfynol 104pa,1,4-diisobutyl-1,4-dimethylbutynediol |
| IUPAC Name | 2,4,7,9-tetramethyldec-5-yne-4,7-diol |
| InChI Key | LXOFYPKXCSULTL-UHFFFAOYNA-N |
| Molecular Formula | C14H26O2 |
Triethyl Orthochloroacetate 95.0+%, TCI America™
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CAS: 51076-95-0 Molecular Formula: C8H17ClO3 Molecular Weight (g/mol): 196.671 MDL Number: MFCD00142889 InChI Key: URFKLQSFBXBOQU-UHFFFAOYSA-N Synonym: 2-chloro-1,1,1-triethoxy-ethane,triethyl orthochloroacetate,2-chloro-1,1,1-triethoxy ethane,orthochloroacetic acid triethyl ester,ethane, 2-chloro-1,1,1-triethoxy,chlorotriethoxyethane,acmc-209tex,2-chloro-1, 1,1-triethoxy-ethane,2-chloranyl-1,1,1-triethoxy-ethane,2-chloro-1,1,1-triethoxyethane PubChem CID: 305922 IUPAC Name: 2-chloro-1,1,1-triethoxyethane SMILES: CCOC(CCl)(OCC)OCC
| PubChem CID | 305922 |
|---|---|
| CAS | 51076-95-0 |
| Molecular Weight (g/mol) | 196.671 |
| MDL Number | MFCD00142889 |
| SMILES | CCOC(CCl)(OCC)OCC |
| Synonym | 2-chloro-1,1,1-triethoxy-ethane,triethyl orthochloroacetate,2-chloro-1,1,1-triethoxy ethane,orthochloroacetic acid triethyl ester,ethane, 2-chloro-1,1,1-triethoxy,chlorotriethoxyethane,acmc-209tex,2-chloro-1, 1,1-triethoxy-ethane,2-chloranyl-1,1,1-triethoxy-ethane,2-chloro-1,1,1-triethoxyethane |
| IUPAC Name | 2-chloro-1,1,1-triethoxyethane |
| InChI Key | URFKLQSFBXBOQU-UHFFFAOYSA-N |
| Molecular Formula | C8H17ClO3 |
3,5-Dibromosalicylaldehyde 98.0+%, TCI America™
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CAS: 90-59-5 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.915 MDL Number: MFCD00003318 InChI Key: JHZOXYGFQMROFJ-UHFFFAOYSA-N Synonym: 3,5-dibromosalicylaldehyde,dalyde,3,5-dibromosalicylaldeyde,benzaldehyde, 3,5-dibromo-2-hydroxy,2-hydroxy-3,5-dibromobenzaldehyde,3,5-dibromosilicylaldehyde,unii-7a260pbi3a,salicylaldehyde, 3,5-dibromo,3,5-dibromsalicylaldehyd,3,5-dibromo salicyclic aldehyde PubChem CID: 7024 IUPAC Name: 3,5-dibromo-2-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Br)O)C=O)Br
| PubChem CID | 7024 |
|---|---|
| CAS | 90-59-5 |
| Molecular Weight (g/mol) | 279.915 |
| MDL Number | MFCD00003318 |
| SMILES | C1=C(C=C(C(=C1Br)O)C=O)Br |
| Synonym | 3,5-dibromosalicylaldehyde,dalyde,3,5-dibromosalicylaldeyde,benzaldehyde, 3,5-dibromo-2-hydroxy,2-hydroxy-3,5-dibromobenzaldehyde,3,5-dibromosilicylaldehyde,unii-7a260pbi3a,salicylaldehyde, 3,5-dibromo,3,5-dibromsalicylaldehyd,3,5-dibromo salicyclic aldehyde |
| IUPAC Name | 3,5-dibromo-2-hydroxybenzaldehyde |
| InChI Key | JHZOXYGFQMROFJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4Br2O2 |
Bis(2,4-pentanedionato)platinum(II), TCI America™
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CAS: 15170-57-7 Molecular Formula: C10H14O4Pt Molecular Weight (g/mol): 393.30 MDL Number: MFCD00000028 InChI Key: KLFRPGNCEJNEKU-FDGPNNRMSA-L Synonym: platinum ii acetylacetonate,pt acac 2,platinum bis acetylacetonate,acetylacetone platinum ii salt,platinum 2,4-pentanedionate,2,4-pentanedione platinum ii derivative,bis acetylacetonato platinum,bis acetylacetonato platinum ii,2,4-pentanedione, platinum ii PubChem CID: 10960186 IUPAC Name: platinum(2+) bis((2Z)-4-oxopent-2-en-2-olate) SMILES: [Pt++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| PubChem CID | 10960186 |
|---|---|
| CAS | 15170-57-7 |
| Molecular Weight (g/mol) | 393.30 |
| MDL Number | MFCD00000028 |
| SMILES | [Pt++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | platinum ii acetylacetonate,pt acac 2,platinum bis acetylacetonate,acetylacetone platinum ii salt,platinum 2,4-pentanedionate,2,4-pentanedione platinum ii derivative,bis acetylacetonato platinum,bis acetylacetonato platinum ii,2,4-pentanedione, platinum ii |
| IUPAC Name | platinum(2+) bis((2Z)-4-oxopent-2-en-2-olate) |
| InChI Key | KLFRPGNCEJNEKU-FDGPNNRMSA-L |
| Molecular Formula | C10H14O4Pt |
4'-tert-Butylpropiophenone 95.0+%, TCI America™
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CAS: 71209-71-7 Molecular Formula: C13H18O Molecular Weight (g/mol): 190.286 MDL Number: MFCD00100434 InChI Key: AQNYEAINONORRY-UHFFFAOYSA-N Synonym: 4-tert-Butylpropionylbenzene PubChem CID: 595281 IUPAC Name: 1-(4-tert-butylphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)C(C)(C)C
| PubChem CID | 595281 |
|---|---|
| CAS | 71209-71-7 |
| Molecular Weight (g/mol) | 190.286 |
| MDL Number | MFCD00100434 |
| SMILES | CCC(=O)C1=CC=C(C=C1)C(C)(C)C |
| Synonym | 4-tert-Butylpropionylbenzene |
| IUPAC Name | 1-(4-tert-butylphenyl)propan-1-one |
| InChI Key | AQNYEAINONORRY-UHFFFAOYSA-N |
| Molecular Formula | C13H18O |
2-Butyn-1-ol 98.0+%, TCI America™
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CAS: 764-01-2 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.091 MDL Number: MFCD00002914 InChI Key: NEEDEQSZOUAJMU-UHFFFAOYSA-N Synonym: 2-butyn-1-ol,2-butynol,2-butyne-1-ol,hydroxymethylmethylacetylene,2-butynyl alcohol,1-hydroxybut-2-yne,2-butyn-l-ol,2-butyn1-ol,2-butin-1-ol,but-2-in-1-ol PubChem CID: 12991 IUPAC Name: but-2-yn-1-ol SMILES: CC#CCO
| PubChem CID | 12991 |
|---|---|
| CAS | 764-01-2 |
| Molecular Weight (g/mol) | 70.091 |
| MDL Number | MFCD00002914 |
| SMILES | CC#CCO |
| Synonym | 2-butyn-1-ol,2-butynol,2-butyne-1-ol,hydroxymethylmethylacetylene,2-butynyl alcohol,1-hydroxybut-2-yne,2-butyn-l-ol,2-butyn1-ol,2-butin-1-ol,but-2-in-1-ol |
| IUPAC Name | but-2-yn-1-ol |
| InChI Key | NEEDEQSZOUAJMU-UHFFFAOYSA-N |
| Molecular Formula | C4H6O |
7-Benzyloxyindole 98.0+%, TCI America™
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CAS: 20289-27-4 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.28 MDL Number: MFCD00037974 InChI Key: DIGZMTAFOACVBW-UHFFFAOYSA-N Synonym: 7-benzyloxyindole,7-benzyloxy-1h-indole,7-phenylmethoxy indole,1h-indole, 7-phenylmethoxy,7-phenylmethoxy-1h-indole,7-benzyloxy-1h-indol,7-benzyloxindole,7-benzyloxy indole PubChem CID: 260798 IUPAC Name: 7-(benzyloxy)-1H-indole SMILES: C(OC1=C2NC=CC2=CC=C1)C1=CC=CC=C1
| PubChem CID | 260798 |
|---|---|
| CAS | 20289-27-4 |
| Molecular Weight (g/mol) | 223.28 |
| MDL Number | MFCD00037974 |
| SMILES | C(OC1=C2NC=CC2=CC=C1)C1=CC=CC=C1 |
| Synonym | 7-benzyloxyindole,7-benzyloxy-1h-indole,7-phenylmethoxy indole,1h-indole, 7-phenylmethoxy,7-phenylmethoxy-1h-indole,7-benzyloxy-1h-indol,7-benzyloxindole,7-benzyloxy indole |
| IUPAC Name | 7-(benzyloxy)-1H-indole |
| InChI Key | DIGZMTAFOACVBW-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
5'-Acetamido-2'-hydroxyacetophenone 98.0+%, TCI America™
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CAS: 7298-67-1 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00100490 InChI Key: DIQSYMRVTOVKQT-UHFFFAOYSA-N Synonym: n-3-acetyl-4-hydroxyphenyl acetamide,n1-3-acetyl-4-hydroxyphenyl acetamide,n-3-acetyl-4-hydroxy-phenyl acetamide,5'-acetamido-2'-hydroxyacetophenone,acetamide, n-3-acetyl-4-hydroxyphenyl,ksc380g7h,3'-acetyl-4'-hydroxyacetanilide,5-acetamido-2-hydroxyacetophenone,5-acetamido-2-hydroxy-acetophenone,n-3-acetyl-4-hydroxyphenyl-acetamide PubChem CID: 81720 IUPAC Name: N-(3-acetyl-4-hydroxyphenyl)acetamide SMILES: CC(=O)C1=C(C=CC(=C1)NC(=O)C)O
| PubChem CID | 81720 |
|---|---|
| CAS | 7298-67-1 |
| Molecular Weight (g/mol) | 193.202 |
| MDL Number | MFCD00100490 |
| SMILES | CC(=O)C1=C(C=CC(=C1)NC(=O)C)O |
| Synonym | n-3-acetyl-4-hydroxyphenyl acetamide,n1-3-acetyl-4-hydroxyphenyl acetamide,n-3-acetyl-4-hydroxy-phenyl acetamide,5'-acetamido-2'-hydroxyacetophenone,acetamide, n-3-acetyl-4-hydroxyphenyl,ksc380g7h,3'-acetyl-4'-hydroxyacetanilide,5-acetamido-2-hydroxyacetophenone,5-acetamido-2-hydroxy-acetophenone,n-3-acetyl-4-hydroxyphenyl-acetamide |
| IUPAC Name | N-(3-acetyl-4-hydroxyphenyl)acetamide |
| InChI Key | DIQSYMRVTOVKQT-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |