Organooxygen compounds
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(4-Chlorophenyl)(4-piperidyl)methanone hydrochloride, 95%, Thermo Scientific™
CAS: 55695-51-7 Molecular Formula: C12H15ClNO Molecular Weight (g/mol): 224.71 MDL Number: MFCD00053028 InChI Key: IYGWDOXHCPQXKN-UHFFFAOYSA-O Synonym: 4-chlorophenyl piperidin-4-yl methanone hydrochloride,4-4-chlorobenzoyl piperidine hydrochloride,4-chlorophenyl 4-piperidyl methanone hydrochloride,4-chlorophenyl 4-piperidinyl methanone hydrochloride,4-p-chlorobenzoyl piperidine hydrochloride,4-4-chlorophenyl carbonyl piperidine hydrochloride,methanone, 4-chlorophenyl-4-piperidinyl-, hydrochloride,4-chlorophenyl 4-piperidinyl methanonehydrochloride,bestipharma 579-258,4-4-chlorobenzoyl piperidine hcl PubChem CID: 2777114 IUPAC Name: (4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride SMILES: ClC1=CC=C(C=C1)C(=O)C1CC[NH2+]CC1
| PubChem CID | 2777114 |
|---|---|
| CAS | 55695-51-7 |
| Molecular Weight (g/mol) | 224.71 |
| MDL Number | MFCD00053028 |
| SMILES | ClC1=CC=C(C=C1)C(=O)C1CC[NH2+]CC1 |
| Synonym | 4-chlorophenyl piperidin-4-yl methanone hydrochloride,4-4-chlorobenzoyl piperidine hydrochloride,4-chlorophenyl 4-piperidyl methanone hydrochloride,4-chlorophenyl 4-piperidinyl methanone hydrochloride,4-p-chlorobenzoyl piperidine hydrochloride,4-4-chlorophenyl carbonyl piperidine hydrochloride,methanone, 4-chlorophenyl-4-piperidinyl-, hydrochloride,4-chlorophenyl 4-piperidinyl methanonehydrochloride,bestipharma 579-258,4-4-chlorobenzoyl piperidine hcl |
| IUPAC Name | (4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride |
| InChI Key | IYGWDOXHCPQXKN-UHFFFAOYSA-O |
| Molecular Formula | C12H15ClNO |
5-Aminoindan-1-one, 97%, Thermo Scientific™
CAS: 3470-54-0 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 InChI Key: HODOSJNSRPXYBH-UHFFFAOYSA-N Synonym: 5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one PubChem CID: 312890 IUPAC Name: 5-amino-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)N
| PubChem CID | 312890 |
|---|---|
| CAS | 3470-54-0 |
| Molecular Weight (g/mol) | 147.177 |
| SMILES | C1CC(=O)C2=C1C=C(C=C2)N |
| Synonym | 5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one |
| IUPAC Name | 5-amino-2,3-dihydroinden-1-one |
| InChI Key | HODOSJNSRPXYBH-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
2-Bromo-1-(3-thienyl)-1-ethanone, 97%, Thermo Scientific™
CAS: 1468-82-2 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.07 MDL Number: MFCD02677695 InChI Key: TXEJYUFJFSPCHH-UHFFFAOYSA-N PubChem CID: 2776379 SMILES: BrCC(=O)C1=CSC=C1
| PubChem CID | 2776379 |
|---|---|
| CAS | 1468-82-2 |
| Molecular Weight (g/mol) | 205.07 |
| MDL Number | MFCD02677695 |
| SMILES | BrCC(=O)C1=CSC=C1 |
| InChI Key | TXEJYUFJFSPCHH-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrOS |
2-Acetylthiophene, 98%
CAS: 88-15-3 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.17 MDL Number: MFCD00005442 InChI Key: WYJOVVXUZNRJQY-UHFFFAOYSA-N Synonym: 2-acetylthiophene,1-2-thienyl ethanone,1-thiophen-2-yl-ethanone,methyl 2-thienyl ketone,2-acetothienone,2-acetothiophene,ethanone, 1-2-thienyl,2-acetyl thiophene,ketone, methyl 2-thienyl,2-thienyl methyl ketone PubChem CID: 6920 IUPAC Name: 1-thiophen-2-ylethanone SMILES: CC(=O)C1=CC=CS1
| PubChem CID | 6920 |
|---|---|
| CAS | 88-15-3 |
| Molecular Weight (g/mol) | 126.17 |
| MDL Number | MFCD00005442 |
| SMILES | CC(=O)C1=CC=CS1 |
| Synonym | 2-acetylthiophene,1-2-thienyl ethanone,1-thiophen-2-yl-ethanone,methyl 2-thienyl ketone,2-acetothienone,2-acetothiophene,ethanone, 1-2-thienyl,2-acetyl thiophene,ketone, methyl 2-thienyl,2-thienyl methyl ketone |
| IUPAC Name | 1-thiophen-2-ylethanone |
| InChI Key | WYJOVVXUZNRJQY-UHFFFAOYSA-N |
| Molecular Formula | C6H6OS |
4'-Fluoro-2'-hydroxyacetophenone, 98%
CAS: 1481-27-2 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00143203 InChI Key: HLTBTUXAMVOKIH-UHFFFAOYSA-N Synonym: 4'-fluoro-2'-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethanone,4-fluoro-2-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethan-1-one,ethanone, 1-4-fluoro-2-hydroxyphenyl,1-4-fluoro-2-hydroxy-phenyl ethanone,1-acetyl-4-fluoro-2-hydroxybenzene,pubchem13252,acmc-1bzss,4'-fluoro-2'-hydroxy PubChem CID: 2737326 IUPAC Name: 1-(4-fluoro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=C(F)C=C1O
| PubChem CID | 2737326 |
|---|---|
| CAS | 1481-27-2 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00143203 |
| SMILES | CC(=O)C1=CC=C(F)C=C1O |
| Synonym | 4'-fluoro-2'-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethanone,4-fluoro-2-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethan-1-one,ethanone, 1-4-fluoro-2-hydroxyphenyl,1-4-fluoro-2-hydroxy-phenyl ethanone,1-acetyl-4-fluoro-2-hydroxybenzene,pubchem13252,acmc-1bzss,4'-fluoro-2'-hydroxy |
| IUPAC Name | 1-(4-fluoro-2-hydroxyphenyl)ethanone |
| InChI Key | HLTBTUXAMVOKIH-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
1,8-Dihydroxyanthraquinone, 95%
CAS: 117-10-2 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.21 MDL Number: MFCD00001211 InChI Key: QBPFLULOKWLNNW-UHFFFAOYSA-N Synonym: danthron,1,8-dihydroxyanthraquinone,chrysazin,dantron,antrapurol,laxanthreen,diaquone,istizin,laxanorm,altan PubChem CID: 2950 ChEBI: CHEBI:3682 IUPAC Name: 1,8-dihydroxyanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O
| PubChem CID | 2950 |
|---|---|
| CAS | 117-10-2 |
| Molecular Weight (g/mol) | 240.21 |
| ChEBI | CHEBI:3682 |
| MDL Number | MFCD00001211 |
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O |
| Synonym | danthron,1,8-dihydroxyanthraquinone,chrysazin,dantron,antrapurol,laxanthreen,diaquone,istizin,laxanorm,altan |
| IUPAC Name | 1,8-dihydroxyanthracene-9,10-dione |
| InChI Key | QBPFLULOKWLNNW-UHFFFAOYSA-N |
| Molecular Formula | C14H8O4 |
3-Bromo-2-butanone, 95%, stabilized
CAS: 814-75-5 Molecular Formula: C4H7BrO Molecular Weight (g/mol): 151 MDL Number: MFCD00013538 InChI Key: BNBOUFHCTIFWHN-UHFFFAOYSA-N Synonym: 3-bromo-2-butanone,2-butanone, 3-bromo,2-bromo-3-butanone,3-bromo-butan-2-one,1-bromoethyl methyl ketone,2-bromobutan-2-one,3-bromobutanone,3-bromo-2-butanon,2-bromo-3-oxobutane,3-bromo-butan-2-on PubChem CID: 13142 IUPAC Name: 3-bromobutan-2-one SMILES: CC(C(=O)C)Br
| PubChem CID | 13142 |
|---|---|
| CAS | 814-75-5 |
| Molecular Weight (g/mol) | 151 |
| MDL Number | MFCD00013538 |
| SMILES | CC(C(=O)C)Br |
| Synonym | 3-bromo-2-butanone,2-butanone, 3-bromo,2-bromo-3-butanone,3-bromo-butan-2-one,1-bromoethyl methyl ketone,2-bromobutan-2-one,3-bromobutanone,3-bromo-2-butanon,2-bromo-3-oxobutane,3-bromo-butan-2-on |
| IUPAC Name | 3-bromobutan-2-one |
| InChI Key | BNBOUFHCTIFWHN-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO |
3',4'-Dimethylacetophenone, 98%
CAS: 3637-01-2 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00008743 InChI Key: WPRAXAOJIODQJR-UHFFFAOYSA-N
| CAS | 3637-01-2 |
|---|---|
| Molecular Weight (g/mol) | 148.21 |
| MDL Number | MFCD00008743 |
| InChI Key | WPRAXAOJIODQJR-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
4'-tert-Butylacetophenone, 98%
CAS: 943-27-1 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00017256 InChI Key: UYFJYGWNYQCHOB-UHFFFAOYSA-N Synonym: 4'-tert-butylacetophenone,1-4-tert-butylphenyl ethanone,4-tert-butylacetophenone,1-4-tert-butyl phenyl ethanone,p-tert-butylacetophenone,ethanone, 1-4-1,1-dimethylethyl phenyl,acetophenone, 4'-tert-butyl,1-4-tert-butyl phenyl ethan-1-one,p-t-butylacetophenone,1-4-tert-butyl-phenyl-ethanone PubChem CID: 13669 IUPAC Name: 1-(4-tert-butylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C(C)(C)C
| PubChem CID | 13669 |
|---|---|
| CAS | 943-27-1 |
| Molecular Weight (g/mol) | 176.259 |
| MDL Number | MFCD00017256 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(C)(C)C |
| Synonym | 4'-tert-butylacetophenone,1-4-tert-butylphenyl ethanone,4-tert-butylacetophenone,1-4-tert-butyl phenyl ethanone,p-tert-butylacetophenone,ethanone, 1-4-1,1-dimethylethyl phenyl,acetophenone, 4'-tert-butyl,1-4-tert-butyl phenyl ethan-1-one,p-t-butylacetophenone,1-4-tert-butyl-phenyl-ethanone |
| IUPAC Name | 1-(4-tert-butylphenyl)ethanone |
| InChI Key | UYFJYGWNYQCHOB-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
2-Bromo-4'-nitroacetophenone, 95%
CAS: 99-81-0 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.044 MDL Number: MFCD00007356 InChI Key: MBUPVGIGAMCMBT-UHFFFAOYSA-N Synonym: 2-bromo-4'-nitroacetophenone,2-bromo-1-4-nitrophenyl ethanone,4-nitrophenacyl bromide,p-nitrophenacyl bromide,2-bromo-1-4-nitrophenyl ethan-1-one,alpha-bromo-p-nitroacetophenone,ethanone, 2-bromo-1-4-nitrophenyl,4'-nitrophenacyl bromide,alpha-bromo-4-nitroacetophenone,2-bromo-4-nitroacetophenone PubChem CID: 66840 IUPAC Name: 2-bromo-1-(4-nitrophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)[N+](=O)[O-]
| PubChem CID | 66840 |
|---|---|
| CAS | 99-81-0 |
| Molecular Weight (g/mol) | 244.044 |
| MDL Number | MFCD00007356 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)[N+](=O)[O-] |
| Synonym | 2-bromo-4'-nitroacetophenone,2-bromo-1-4-nitrophenyl ethanone,4-nitrophenacyl bromide,p-nitrophenacyl bromide,2-bromo-1-4-nitrophenyl ethan-1-one,alpha-bromo-p-nitroacetophenone,ethanone, 2-bromo-1-4-nitrophenyl,4'-nitrophenacyl bromide,alpha-bromo-4-nitroacetophenone,2-bromo-4-nitroacetophenone |
| IUPAC Name | 2-bromo-1-(4-nitrophenyl)ethanone |
| InChI Key | MBUPVGIGAMCMBT-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO3 |
Bromomalonaldehyde, 97%
CAS: 2065-75-0 Molecular Formula: C3H3BrO2 Molecular Weight (g/mol): 150.959 MDL Number: MFCD00459999 InChI Key: SURMYNZXHKLDFO-UHFFFAOYSA-N Synonym: 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde PubChem CID: 74945 IUPAC Name: 2-bromopropanedial SMILES: C(=O)C(C=O)Br
| PubChem CID | 74945 |
|---|---|
| CAS | 2065-75-0 |
| Molecular Weight (g/mol) | 150.959 |
| MDL Number | MFCD00459999 |
| SMILES | C(=O)C(C=O)Br |
| Synonym | 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde |
| IUPAC Name | 2-bromopropanedial |
| InChI Key | SURMYNZXHKLDFO-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrO2 |
Diethyl acetylsuccinate, 99%
CAS: 1115-30-6 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.23 MDL Number: MFCD00009157 InChI Key: DVSDDICSXBCMQJ-UHFFFAOYSA-N Synonym: diethyl 2-acetylsuccinate,diethyl acetylsuccinate,ethyl acetylsuccinate,diethyl acetosuccinate,butanedioic acid, acetyl-, diethyl ester,acetylsuccinic acid diethyl ester,diethylacetylsuccinate,1,4-diethyl 2-acetylbutanedioate,succinic acid, acetyl-, diethyl ester,butanedioic acid, 2-acetyl-, 1,4-diethyl ester PubChem CID: 66197 IUPAC Name: diethyl 2-acetylbutanedioate SMILES: CCOC(=O)CC(C(=O)C)C(=O)OCC
| PubChem CID | 66197 |
|---|---|
| CAS | 1115-30-6 |
| Molecular Weight (g/mol) | 216.23 |
| MDL Number | MFCD00009157 |
| SMILES | CCOC(=O)CC(C(=O)C)C(=O)OCC |
| Synonym | diethyl 2-acetylsuccinate,diethyl acetylsuccinate,ethyl acetylsuccinate,diethyl acetosuccinate,butanedioic acid, acetyl-, diethyl ester,acetylsuccinic acid diethyl ester,diethylacetylsuccinate,1,4-diethyl 2-acetylbutanedioate,succinic acid, acetyl-, diethyl ester,butanedioic acid, 2-acetyl-, 1,4-diethyl ester |
| IUPAC Name | diethyl 2-acetylbutanedioate |
| InChI Key | DVSDDICSXBCMQJ-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5 |
tert-Butyl hydrogen malonate, 96%
CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00191886 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O
| PubChem CID | 545853 |
|---|---|
| CAS | 40052-13-9 |
| Molecular Weight (g/mol) | 160.169 |
| MDL Number | MFCD00191886 |
| SMILES | CC(C)(C)OC(=O)CC(=O)O |
| Synonym | 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid |
| InChI Key | NGGGZUAEOKRHMA-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4 |
tert-Butyl ethyl malonate, 97%, Thermo Scientific Chemicals
CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C
| PubChem CID | 96345 |
|---|---|
| CAS | 32864-38-3 |
| Molecular Weight (g/mol) | 188.22 |
| MDL Number | MFCD00009193 |
| SMILES | CCOC(=O)CC(=O)OC(C)(C)C |
| Synonym | tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate |
| IUPAC Name | 3-O-tert-butyl 1-O-ethyl propanedioate |
| InChI Key | OCOBFMZGRJOSOU-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
Ethyl bromopyruvate, 80-85%
CAS: 70-23-5 Molecular Formula: C5H7BrO3 Molecular Weight (g/mol): 195.01 MDL Number: MFCD00000204 InChI Key: VICYTAYPKBLQFB-UHFFFAOYSA-N Synonym: ethyl bromopyruvate,ethyl 3-bromopyruvate,propanoic acid, 3-bromo-2-oxo-, ethyl ester,bromopyruvic acid ethyl ester,ethyl bromo pyruvate,ethyl 3-bromo-2-oxopropionate,pyruvic acid, bromo-, ethyl ester,.beta.-bromopyruvic acid ethyl ester,3-bromo-2-oxo-propionic acid ethyl ester,beta-bromopyruvic acid ethyl ester PubChem CID: 66144 IUPAC Name: ethyl 3-bromo-2-oxopropanoate SMILES: CCOC(=O)C(=O)CBr
| PubChem CID | 66144 |
|---|---|
| CAS | 70-23-5 |
| Molecular Weight (g/mol) | 195.01 |
| MDL Number | MFCD00000204 |
| SMILES | CCOC(=O)C(=O)CBr |
| Synonym | ethyl bromopyruvate,ethyl 3-bromopyruvate,propanoic acid, 3-bromo-2-oxo-, ethyl ester,bromopyruvic acid ethyl ester,ethyl bromo pyruvate,ethyl 3-bromo-2-oxopropionate,pyruvic acid, bromo-, ethyl ester,.beta.-bromopyruvic acid ethyl ester,3-bromo-2-oxo-propionic acid ethyl ester,beta-bromopyruvic acid ethyl ester |
| IUPAC Name | ethyl 3-bromo-2-oxopropanoate |
| InChI Key | VICYTAYPKBLQFB-UHFFFAOYSA-N |
| Molecular Formula | C5H7BrO3 |