Organooxygen compounds
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trans,trans-1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one 98.0+%, TCI America™
CAS: 37951-12-5 Molecular Formula: C19H18O3 Molecular Weight (g/mol): 294.35 MDL Number: MFCD00014901 InChI Key: IOZVKDXPBWBUKY-LQIBPGRFSA-N Synonym: trans,trans-Bis(4-methoxybenzal)acetone, trans,trans-Bis(4-methoxybenzylidene)acetone, trans,trans-Bis(4-methoxystyryl) Ketone PubChem CID: 715840 IUPAC Name: (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one SMILES: COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC
| PubChem CID | 715840 |
|---|---|
| CAS | 37951-12-5 |
| Molecular Weight (g/mol) | 294.35 |
| MDL Number | MFCD00014901 |
| SMILES | COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC |
| Synonym | trans,trans-Bis(4-methoxybenzal)acetone, trans,trans-Bis(4-methoxybenzylidene)acetone, trans,trans-Bis(4-methoxystyryl) Ketone |
| IUPAC Name | (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one |
| InChI Key | IOZVKDXPBWBUKY-LQIBPGRFSA-N |
| Molecular Formula | C19H18O3 |
Ethylene Glycol Monopropyl Ether 98.0+%, TCI America™
CAS: 2807-30-9 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.149 MDL Number: MFCD00072645 InChI Key: YEYKMVJDLWJFOA-UHFFFAOYSA-N Synonym: ethanol, 2-propoxy,ethylene glycol monopropyl ether,propyl cellosolve,propoxyethanol,propyl glycol,2-propoxyethan-1-ol,ektasolve ep,2-propyloxy ethanol,n-propoxyethanol,ethylene glycol mono-n-propyl ether PubChem CID: 17756 IUPAC Name: 2-propoxyethanol SMILES: CCCOCCO
| PubChem CID | 17756 |
|---|---|
| CAS | 2807-30-9 |
| Molecular Weight (g/mol) | 104.149 |
| MDL Number | MFCD00072645 |
| SMILES | CCCOCCO |
| Synonym | ethanol, 2-propoxy,ethylene glycol monopropyl ether,propyl cellosolve,propoxyethanol,propyl glycol,2-propoxyethan-1-ol,ektasolve ep,2-propyloxy ethanol,n-propoxyethanol,ethylene glycol mono-n-propyl ether |
| IUPAC Name | 2-propoxyethanol |
| InChI Key | YEYKMVJDLWJFOA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
Isatin 98.0+%, TCI America™
CAS: 91-56-5 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00005718 InChI Key: JXDYKVIHCLTXOP-UHFFFAOYSA-N Synonym: isatin,indoline-2,3-dione,2,3-indolinedione,indole-2,3-dione,isatine,2,3-dioxoindoline,pseudoisatin,tribulin,isotin,isatic acid lactam PubChem CID: 7054 ChEBI: CHEBI:27539 IUPAC Name: 1H-indole-2,3-dione SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2
| PubChem CID | 7054 |
|---|---|
| CAS | 91-56-5 |
| Molecular Weight (g/mol) | 147.133 |
| ChEBI | CHEBI:27539 |
| MDL Number | MFCD00005718 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)N2 |
| Synonym | isatin,indoline-2,3-dione,2,3-indolinedione,indole-2,3-dione,isatine,2,3-dioxoindoline,pseudoisatin,tribulin,isotin,isatic acid lactam |
| IUPAC Name | 1H-indole-2,3-dione |
| InChI Key | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2 |
2-Methylindole-3-carboxaldehyde 98.0+%, TCI America™
CAS: 5416-80-8 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00012077 InChI Key: CYZIVXOEJNAIBS-UHFFFAOYSA-N Synonym: 2-methylindole-3-carboxaldehyde,3-formyl-2-methylindole,2-methyl-3-formylindole,1h-indole-3-carboxaldehyde, 2-methyl,2-methylindole-3-carbaldehyde,indole-3-carboxaldehyde, 2-methyl,pubchem7437,zlchem 1339,acmc-1apkw,ksc271e8j PubChem CID: 73166 IUPAC Name: 2-methyl-1H-indole-3-carbaldehyde SMILES: CC1=C(C2=CC=CC=C2N1)C=O
| PubChem CID | 73166 |
|---|---|
| CAS | 5416-80-8 |
| Molecular Weight (g/mol) | 159.188 |
| MDL Number | MFCD00012077 |
| SMILES | CC1=C(C2=CC=CC=C2N1)C=O |
| Synonym | 2-methylindole-3-carboxaldehyde,3-formyl-2-methylindole,2-methyl-3-formylindole,1h-indole-3-carboxaldehyde, 2-methyl,2-methylindole-3-carbaldehyde,indole-3-carboxaldehyde, 2-methyl,pubchem7437,zlchem 1339,acmc-1apkw,ksc271e8j |
| IUPAC Name | 2-methyl-1H-indole-3-carbaldehyde |
| InChI Key | CYZIVXOEJNAIBS-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
Acetoin (May exist as crystalline dimer) 98.0+%, TCI America™
CAS: 513-86-0 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00004521,MFCD00038696 InChI Key: ROWKJAVDOGWPAT-UHFFFAOYNA-N Synonym: acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl PubChem CID: 179 ChEBI: CHEBI:15688 IUPAC Name: 3-hydroxybutan-2-one SMILES: CC(O)C(C)=O
| PubChem CID | 179 |
|---|---|
| CAS | 513-86-0 |
| Molecular Weight (g/mol) | 88.11 |
| ChEBI | CHEBI:15688 |
| MDL Number | MFCD00004521,MFCD00038696 |
| SMILES | CC(O)C(C)=O |
| Synonym | acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl |
| IUPAC Name | 3-hydroxybutan-2-one |
| InChI Key | ROWKJAVDOGWPAT-UHFFFAOYNA-N |
| Molecular Formula | C4H8O2 |
4-(4-Methylphenyl)-4-oxobutyric Acid 98.0+%, TCI America™
CAS: 4619-20-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00020541 InChI Key: OEEUWZITKKSXAZ-UHFFFAOYSA-N Synonym: 3-4-methylbenzoyl propionic acid,4-oxo-4-p-tolyl butanoic acid,4-4-methylphenyl-4-oxobutanoic acid,4-4-methylphenyl-4-oxobutyric acid,4-oxo-4-4-tolyl butyric acid,4-oxo-4-p-tolylbutyric acid,4-oxo-4-p-tolylbutanoic acid,3-4-methylbenzoyl-propionic acid,acmc-1aooh,benzenebutanoic acid, 4-methyl-gamma-oxo PubChem CID: 244162 IUPAC Name: 4-(4-methylphenyl)-4-oxobutanoic acid SMILES: CC1=CC=C(C=C1)C(=O)CCC(=O)O
| PubChem CID | 244162 |
|---|---|
| CAS | 4619-20-9 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00020541 |
| SMILES | CC1=CC=C(C=C1)C(=O)CCC(=O)O |
| Synonym | 3-4-methylbenzoyl propionic acid,4-oxo-4-p-tolyl butanoic acid,4-4-methylphenyl-4-oxobutanoic acid,4-4-methylphenyl-4-oxobutyric acid,4-oxo-4-4-tolyl butyric acid,4-oxo-4-p-tolylbutyric acid,4-oxo-4-p-tolylbutanoic acid,3-4-methylbenzoyl-propionic acid,acmc-1aooh,benzenebutanoic acid, 4-methyl-gamma-oxo |
| IUPAC Name | 4-(4-methylphenyl)-4-oxobutanoic acid |
| InChI Key | OEEUWZITKKSXAZ-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
5-Chlorosalicylaldehyde 98.0+%, TCI America™
CAS: 635-93-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00003331 InChI Key: FUGKCSRLAQKUHG-UHFFFAOYSA-N Synonym: 5-chlorosalicylaldehyde,2-hydroxy-5-chlorobenzaldehyde,benzaldehyde, 5-chloro-2-hydroxy,4-chloro-2-formylphenol,salicylaldehyde, 5-chloro,5-chloro-2-hydroxy-benzaldehyde,unii-4gcc8zkm3o,5-chloro-salicylaldehyde,4gcc8zkm3o,5-chloro-2-hydroxy benzaldehyde PubChem CID: 12481 IUPAC Name: 5-chloro-2-hydroxybenzaldehyde SMILES: OC1=CC=C(Cl)C=C1C=O
| PubChem CID | 12481 |
|---|---|
| CAS | 635-93-8 |
| Molecular Weight (g/mol) | 156.57 |
| MDL Number | MFCD00003331 |
| SMILES | OC1=CC=C(Cl)C=C1C=O |
| Synonym | 5-chlorosalicylaldehyde,2-hydroxy-5-chlorobenzaldehyde,benzaldehyde, 5-chloro-2-hydroxy,4-chloro-2-formylphenol,salicylaldehyde, 5-chloro,5-chloro-2-hydroxy-benzaldehyde,unii-4gcc8zkm3o,5-chloro-salicylaldehyde,4gcc8zkm3o,5-chloro-2-hydroxy benzaldehyde |
| IUPAC Name | 5-chloro-2-hydroxybenzaldehyde |
| InChI Key | FUGKCSRLAQKUHG-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
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 |
7-Methoxy-1-naphthaleneacetic Acid 98.0+%, TCI America™
CAS: 6836-22-2 Molecular Formula: C13H12O3 Molecular Weight (g/mol): 216.236 MDL Number: MFCD12756806 InChI Key: GJPYHKXILUFWKV-UHFFFAOYSA-N Synonym: (7-Methoxy-1-naphthyl)acetic Acid PubChem CID: 13570105 IUPAC Name: 2-(7-methoxynaphthalen-1-yl)acetic acid SMILES: COC1=CC2=C(C=CC=C2CC(=O)O)C=C1
| PubChem CID | 13570105 |
|---|---|
| CAS | 6836-22-2 |
| Molecular Weight (g/mol) | 216.236 |
| MDL Number | MFCD12756806 |
| SMILES | COC1=CC2=C(C=CC=C2CC(=O)O)C=C1 |
| Synonym | (7-Methoxy-1-naphthyl)acetic Acid |
| IUPAC Name | 2-(7-methoxynaphthalen-1-yl)acetic acid |
| InChI Key | GJPYHKXILUFWKV-UHFFFAOYSA-N |
| Molecular Formula | C13H12O3 |
4-Acetylpyridine 98.0+%, TCI America™
CAS: 1122-54-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006433 InChI Key: WMQUKDQWMMOHSA-UHFFFAOYSA-N Synonym: 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 PubChem CID: 14282 IUPAC Name: 1-pyridin-4-ylethanone SMILES: CC(=O)C1=CC=NC=C1
| PubChem CID | 14282 |
|---|---|
| CAS | 1122-54-9 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006433 |
| SMILES | CC(=O)C1=CC=NC=C1 |
| Synonym | 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 |
| IUPAC Name | 1-pyridin-4-ylethanone |
| InChI Key | WMQUKDQWMMOHSA-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
3',5'-Diacetoxyacetophenone 98.0+%, TCI America™
CAS: 35086-59-0 Molecular Formula: C12H12O5 Molecular Weight (g/mol): 236.223 MDL Number: MFCD00008702 InChI Key: QODJHYBESCIPOG-UHFFFAOYSA-N PubChem CID: 688015 IUPAC Name: (3-acetyl-5-acetyloxyphenyl) acetate SMILES: CC(=O)C1=CC(=CC(=C1)OC(=O)C)OC(=O)C
| PubChem CID | 688015 |
|---|---|
| CAS | 35086-59-0 |
| Molecular Weight (g/mol) | 236.223 |
| MDL Number | MFCD00008702 |
| SMILES | CC(=O)C1=CC(=CC(=C1)OC(=O)C)OC(=O)C |
| IUPAC Name | (3-acetyl-5-acetyloxyphenyl) acetate |
| InChI Key | QODJHYBESCIPOG-UHFFFAOYSA-N |
| Molecular Formula | C12H12O5 |
meso-alpha,beta-Di(4-pyridyl) Glycol 98.0+%, TCI America™
CAS: 4972-49-0 Molecular Formula: C12H12N2O2 Molecular Weight (g/mol): 216.24 MDL Number: MFCD00023627 InChI Key: DHKSJSQSVHHBPH-TXEJJXNPSA-N Synonym: meso-1,2-Bis(4-pyridyl) Glycol, meso-1,2-Di(4-pyridyl) Glycol, meso-1,2-Di(4-pyridyl)-1,2-ethanediol PubChem CID: 12785626 IUPAC Name: (1R,2S)-1,2-dipyridin-4-ylethane-1,2-diol SMILES: C1=CN=CC=C1C(C(C2=CC=NC=C2)O)O
| PubChem CID | 12785626 |
|---|---|
| CAS | 4972-49-0 |
| Molecular Weight (g/mol) | 216.24 |
| MDL Number | MFCD00023627 |
| SMILES | C1=CN=CC=C1C(C(C2=CC=NC=C2)O)O |
| Synonym | meso-1,2-Bis(4-pyridyl) Glycol, meso-1,2-Di(4-pyridyl) Glycol, meso-1,2-Di(4-pyridyl)-1,2-ethanediol |
| IUPAC Name | (1R,2S)-1,2-dipyridin-4-ylethane-1,2-diol |
| InChI Key | DHKSJSQSVHHBPH-TXEJJXNPSA-N |
| Molecular Formula | C12H12N2O2 |
4'-Methoxyacetophenone 99.0+%, TCI America™
CAS: 100-06-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008745 InChI Key: NTPLXRHDUXRPNE-UHFFFAOYSA-N Synonym: 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl PubChem CID: 7476 ChEBI: CHEBI:86567 IUPAC Name: 1-(4-methoxyphenyl)ethan-1-one SMILES: COC1=CC=C(C=C1)C(C)=O
| PubChem CID | 7476 |
|---|---|
| CAS | 100-06-1 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:86567 |
| MDL Number | MFCD00008745 |
| SMILES | COC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl |
| IUPAC Name | 1-(4-methoxyphenyl)ethan-1-one |
| InChI Key | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
N-Benzylacetoacetamide 98.0+%, TCI America™
CAS: 882-36-0 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD00026260 InChI Key: KOHNUEXAOQRRPI-UHFFFAOYSA-N Synonym: N-Acetoacetylbenzylamine PubChem CID: 70159 IUPAC Name: N-benzyl-3-oxobutanamide SMILES: CC(=O)CC(=O)NCC1=CC=CC=C1
| PubChem CID | 70159 |
|---|---|
| CAS | 882-36-0 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD00026260 |
| SMILES | CC(=O)CC(=O)NCC1=CC=CC=C1 |
| Synonym | N-Acetoacetylbenzylamine |
| IUPAC Name | N-benzyl-3-oxobutanamide |
| InChI Key | KOHNUEXAOQRRPI-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO2 |
Diethyl Oxalacetate Sodium Salt 95.0+%, TCI America™
CAS: 40876-98-0 Molecular Formula: C8H11NaO5 Molecular Weight (g/mol): 210.161 MDL Number: MFCD00035571 InChI Key: UJZUICGIJODKOS-UHFFFAOYSA-M Synonym: diethyl oxalacetate sodium salt,sodium z-1,4-diethoxy-1,4-dioxo-but-2-en-2-olate,ethyl sodium oxaloacetate,sodium-1,4-diethoxy-1,4-dioxobut-2-en-2-olate,ksc915o5n PubChem CID: 44134875 IUPAC Name: sodium;1,4-diethoxy-1,4-dioxobut-2-en-2-olate SMILES: CCOC(=O)C=C(C(=O)OCC)[O-].[Na+]
| PubChem CID | 44134875 |
|---|---|
| CAS | 40876-98-0 |
| Molecular Weight (g/mol) | 210.161 |
| MDL Number | MFCD00035571 |
| SMILES | CCOC(=O)C=C(C(=O)OCC)[O-].[Na+] |
| Synonym | diethyl oxalacetate sodium salt,sodium z-1,4-diethoxy-1,4-dioxo-but-2-en-2-olate,ethyl sodium oxaloacetate,sodium-1,4-diethoxy-1,4-dioxobut-2-en-2-olate,ksc915o5n |
| IUPAC Name | sodium;1,4-diethoxy-1,4-dioxobut-2-en-2-olate |
| InChI Key | UJZUICGIJODKOS-UHFFFAOYSA-M |
| Molecular Formula | C8H11NaO5 |