Organooxygen compounds
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Magnesium 4-Nitrobenzyl Malonate Hydrate, TCI America™
CAS: 83972-01-4 Molecular Formula: C20H16MgN2O12 Molecular Weight (g/mol): 500.655 MDL Number: MFCD00060141 InChI Key: WAFDWKYNSTVECG-UHFFFAOYSA-L Synonym: Malonic Acid Mono-4-nitrobenzyl Ester Magnesium Salt PubChem CID: 13338668 IUPAC Name: magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate SMILES: C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].[Mg+2]
| PubChem CID | 13338668 |
|---|---|
| CAS | 83972-01-4 |
| Molecular Weight (g/mol) | 500.655 |
| MDL Number | MFCD00060141 |
| SMILES | C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].[Mg+2] |
| Synonym | Malonic Acid Mono-4-nitrobenzyl Ester Magnesium Salt |
| IUPAC Name | magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate |
| InChI Key | WAFDWKYNSTVECG-UHFFFAOYSA-L |
| Molecular Formula | C20H16MgN2O12 |
2-Bromo-4-pyridinecarboxaldehyde 95.0+%, TCI America™
CAS: 118289-17-1 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.008 MDL Number: MFCD04039311 InChI Key: RTWLIQFKXMWEJY-UHFFFAOYSA-N Synonym: 2-bromopyridine-4-carboxaldehyde,2-bromo-4-pyridinecarboxaldehyde,2-bromoisonicotinaldehyde,2-bromo-4-formylpyridine,2-bromo-4-pyridinecarbaldehyde,4-pyridinecarboxaldehyde, 2-bromo,2-bromopyridine-4-formylaldehyde,pubchem5075,2-bromisonicotinaldehyd,acmc-2099wk PubChem CID: 2762991 IUPAC Name: 2-bromopyridine-4-carbaldehyde SMILES: C1=CN=C(C=C1C=O)Br
| PubChem CID | 2762991 |
|---|---|
| CAS | 118289-17-1 |
| Molecular Weight (g/mol) | 186.008 |
| MDL Number | MFCD04039311 |
| SMILES | C1=CN=C(C=C1C=O)Br |
| Synonym | 2-bromopyridine-4-carboxaldehyde,2-bromo-4-pyridinecarboxaldehyde,2-bromoisonicotinaldehyde,2-bromo-4-formylpyridine,2-bromo-4-pyridinecarbaldehyde,4-pyridinecarboxaldehyde, 2-bromo,2-bromopyridine-4-formylaldehyde,pubchem5075,2-bromisonicotinaldehyd,acmc-2099wk |
| IUPAC Name | 2-bromopyridine-4-carbaldehyde |
| InChI Key | RTWLIQFKXMWEJY-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
Benzbromarone 98.0+%, TCI America™
CAS: 3562-84-3 Molecular Formula: C17H12Br2O3 Molecular Weight (g/mol): 424.088 MDL Number: MFCD00078962 InChI Key: WHQCHUCQKNIQEC-UHFFFAOYSA-N Synonym: benzbromarone,benzbromaron,desuric,urinorm,normurat,uricovac,minuric,exurate,hipurik,azubromaron PubChem CID: 2333 ChEBI: CHEBI:3023 IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br
| PubChem CID | 2333 |
|---|---|
| CAS | 3562-84-3 |
| Molecular Weight (g/mol) | 424.088 |
| ChEBI | CHEBI:3023 |
| MDL Number | MFCD00078962 |
| SMILES | CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br |
| Synonym | benzbromarone,benzbromaron,desuric,urinorm,normurat,uricovac,minuric,exurate,hipurik,azubromaron |
| IUPAC Name | (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone |
| InChI Key | WHQCHUCQKNIQEC-UHFFFAOYSA-N |
| Molecular Formula | C17H12Br2O3 |
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 |
2-Bromo-3-pentanone 95.0+%, TCI America™
CAS: 815-52-1 Molecular Formula: C5H9BrO Molecular Weight (g/mol): 165.03 MDL Number: MFCD11036312 InChI Key: VUDTYIUNUSPULX-UHFFFAOYSA-N PubChem CID: 545092 IUPAC Name: 2-bromopentan-3-one SMILES: CCC(=O)C(C)Br
| PubChem CID | 545092 |
|---|---|
| CAS | 815-52-1 |
| Molecular Weight (g/mol) | 165.03 |
| MDL Number | MFCD11036312 |
| SMILES | CCC(=O)C(C)Br |
| IUPAC Name | 2-bromopentan-3-one |
| InChI Key | VUDTYIUNUSPULX-UHFFFAOYSA-N |
| Molecular Formula | C5H9BrO |
1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone 98.0+%, TCI America™
CAS: 756-13-8 Molecular Formula: C6F12O Molecular Weight (g/mol): 316.05 MDL Number: MFCD04038343 InChI Key: RMLFHPWPTXWZNJ-UHFFFAOYSA-N Synonym: Perfluoroethyl Perfluoroisopropyl Ketone PubChem CID: 2782408 IUPAC Name: 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one SMILES: FC(F)(F)C(F)(F)C(=O)C(F)(C(F)(F)F)C(F)(F)F
| PubChem CID | 2782408 |
|---|---|
| CAS | 756-13-8 |
| Molecular Weight (g/mol) | 316.05 |
| MDL Number | MFCD04038343 |
| SMILES | FC(F)(F)C(F)(F)C(=O)C(F)(C(F)(F)F)C(F)(F)F |
| Synonym | Perfluoroethyl Perfluoroisopropyl Ketone |
| IUPAC Name | 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one |
| InChI Key | RMLFHPWPTXWZNJ-UHFFFAOYSA-N |
| Molecular Formula | C6F12O |
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 |
Ethyl 2-Chloroacetoacetate 95.0+%, TCI America™
CAS: 609-15-4 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.59 MDL Number: MFCD00009141 InChI Key: RDULEYWUGKOCMR-UHFFFAOYNA-N PubChem CID: 11858 IUPAC Name: ethyl 2-chloro-3-oxobutanoate SMILES: CCOC(=O)C(Cl)C(C)=O
| PubChem CID | 11858 |
|---|---|
| CAS | 609-15-4 |
| Molecular Weight (g/mol) | 164.59 |
| MDL Number | MFCD00009141 |
| SMILES | CCOC(=O)C(Cl)C(C)=O |
| IUPAC Name | ethyl 2-chloro-3-oxobutanoate |
| InChI Key | RDULEYWUGKOCMR-UHFFFAOYNA-N |
| Molecular Formula | C6H9ClO3 |
Diethyl Cyclopentylmalonate 95.0+%, TCI America™
CAS: 18928-91-1 Molecular Formula: C12H20O4 Molecular Weight (g/mol): 228.288 MDL Number: MFCD00059514 InChI Key: WXPOKLNJWFXXQO-UHFFFAOYSA-N Synonym: Cyclopentylmalonic Acid Diethyl Ester PubChem CID: 249269 IUPAC Name: diethyl 2-cyclopentylpropanedioate SMILES: CCOC(=O)C(C1CCCC1)C(=O)OCC
| PubChem CID | 249269 |
|---|---|
| CAS | 18928-91-1 |
| Molecular Weight (g/mol) | 228.288 |
| MDL Number | MFCD00059514 |
| SMILES | CCOC(=O)C(C1CCCC1)C(=O)OCC |
| Synonym | Cyclopentylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-cyclopentylpropanedioate |
| InChI Key | WXPOKLNJWFXXQO-UHFFFAOYSA-N |
| Molecular Formula | C12H20O4 |
Methyl 4-Chloroacetoacetate 96.0+%, TCI America™
CAS: 32807-28-6 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000938 InChI Key: HFLMYYLFSNEOOT-UHFFFAOYSA-N Synonym: methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 PubChem CID: 36240 IUPAC Name: methyl 4-chloro-3-oxobutanoate SMILES: COC(=O)CC(=O)CCl
| PubChem CID | 36240 |
|---|---|
| CAS | 32807-28-6 |
| Molecular Weight (g/mol) | 150.56 |
| MDL Number | MFCD00000938 |
| SMILES | COC(=O)CC(=O)CCl |
| Synonym | methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 |
| IUPAC Name | methyl 4-chloro-3-oxobutanoate |
| InChI Key | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
2-Methoxy-1-naphthaldehyde 98.0+%, TCI America™
CAS: 5392-12-1 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004004 InChI Key: YIQGLTKAOHRZOL-UHFFFAOYSA-N Synonym: 2-methoxy-1-naphthaldehyde,1-naphthalenecarboxaldehyde, 2-methoxy,2-methoxy-1-naphthalenecarboxaldehyde,unii-7q7tx7tb9e,7q7tx7tb9e,2-methoxy-1-naphthylaldehyde,2-methoxy-naphthalene-1-carbaldehyde,2-methoxynaphthalenecarbaldehyde,2-methoxy-1-naphthaldehyd,2-methoxynaphthaldehyde PubChem CID: 79352 IUPAC Name: 2-methoxynaphthalene-1-carbaldehyde SMILES: COC1=C(C2=CC=CC=C2C=C1)C=O
| PubChem CID | 79352 |
|---|---|
| CAS | 5392-12-1 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00004004 |
| SMILES | COC1=C(C2=CC=CC=C2C=C1)C=O |
| Synonym | 2-methoxy-1-naphthaldehyde,1-naphthalenecarboxaldehyde, 2-methoxy,2-methoxy-1-naphthalenecarboxaldehyde,unii-7q7tx7tb9e,7q7tx7tb9e,2-methoxy-1-naphthylaldehyde,2-methoxy-naphthalene-1-carbaldehyde,2-methoxynaphthalenecarbaldehyde,2-methoxy-1-naphthaldehyd,2-methoxynaphthaldehyde |
| IUPAC Name | 2-methoxynaphthalene-1-carbaldehyde |
| InChI Key | YIQGLTKAOHRZOL-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
5-Methoxyindole 99.0+%, TCI America™
CAS: 1006-94-6 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00005674 InChI Key: DWAQDRSOVMLGRQ-UHFFFAOYSA-N Synonym: 5-methoxyindole,1h-indole, 5-methoxy,femedol,5-methoxy indole,indol-5-yl methyl ether,indole, 5-methoxy,methoxy-5 indole,unii-dqm3as43pq,methoxy-5 indole french,methoxyindole 5- PubChem CID: 13872 IUPAC Name: 5-methoxy-1H-indole SMILES: COC1=CC2=C(C=C1)NC=C2
| PubChem CID | 13872 |
|---|---|
| CAS | 1006-94-6 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00005674 |
| SMILES | COC1=CC2=C(C=C1)NC=C2 |
| Synonym | 5-methoxyindole,1h-indole, 5-methoxy,femedol,5-methoxy indole,indol-5-yl methyl ether,indole, 5-methoxy,methoxy-5 indole,unii-dqm3as43pq,methoxy-5 indole french,methoxyindole 5- |
| IUPAC Name | 5-methoxy-1H-indole |
| InChI Key | DWAQDRSOVMLGRQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
6-Methoxyquinoline 97.0+%, TCI America™
CAS: 5263-87-6 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00006800 InChI Key: HFDLDPJYCIEXJP-UHFFFAOYSA-N Synonym: quinoline, 6-methoxy,6-methoxy-quinoline,methyl 6-quinolyl ether,p-quinanisole,unii-5s1u3125ad,chembl15200,6-methoxy quinoline,pubchem5917,6-methoxyquinoline,acmc-209l0q PubChem CID: 14860 ChEBI: CHEBI:72822 IUPAC Name: 6-methoxyquinoline SMILES: COC1=CC2=C(C=C1)N=CC=C2
| PubChem CID | 14860 |
|---|---|
| CAS | 5263-87-6 |
| Molecular Weight (g/mol) | 159.188 |
| ChEBI | CHEBI:72822 |
| MDL Number | MFCD00006800 |
| SMILES | COC1=CC2=C(C=C1)N=CC=C2 |
| Synonym | quinoline, 6-methoxy,6-methoxy-quinoline,methyl 6-quinolyl ether,p-quinanisole,unii-5s1u3125ad,chembl15200,6-methoxy quinoline,pubchem5917,6-methoxyquinoline,acmc-209l0q |
| IUPAC Name | 6-methoxyquinoline |
| InChI Key | HFDLDPJYCIEXJP-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
Ethyl 3-Methoxypropionate 99.0+%, TCI America™
CAS: 10606-42-5 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00143172 InChI Key: IJUHLFUALMUWOM-UHFFFAOYSA-N Synonym: 3-Methoxypropionic Acid Ethyl Ester PubChem CID: 82767 IUPAC Name: ethyl 3-methoxypropanoate SMILES: CCOC(=O)CCOC
| PubChem CID | 82767 |
|---|---|
| CAS | 10606-42-5 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00143172 |
| SMILES | CCOC(=O)CCOC |
| Synonym | 3-Methoxypropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-methoxypropanoate |
| InChI Key | IJUHLFUALMUWOM-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
3'-Chloro-4'-hydroxyacetophenone 98.0+%, TCI America™
CAS: 2892-29-7 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00663621 InChI Key: GMTSPBYBJKGPJF-UHFFFAOYSA-N Synonym: 4-Acetyl-2-chlorophenol PubChem CID: 1051514 IUPAC Name: 1-(3-chloro-4-hydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(O)C(Cl)=C1
| PubChem CID | 1051514 |
|---|---|
| CAS | 2892-29-7 |
| Molecular Weight (g/mol) | 170.59 |
| MDL Number | MFCD00663621 |
| SMILES | CC(=O)C1=CC=C(O)C(Cl)=C1 |
| Synonym | 4-Acetyl-2-chlorophenol |
| IUPAC Name | 1-(3-chloro-4-hydroxyphenyl)ethan-1-one |
| InChI Key | GMTSPBYBJKGPJF-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |