Organooxygen compounds
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Biphenyl-3-carboxaldehyde 96.0+%, TCI America™
CAS: 1204-60-0 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.222 MDL Number: MFCD01740432 InChI Key: KFKSIUOALVIACE-UHFFFAOYSA-N Synonym: 1,1'-biphenyl-3-carbaldehyde,biphenyl-3-carbaldehyde,3-formylbiphenyl,ccris 3164,biphenyl-3-carboxaldehyde,3-difenilaldeide italian,1,1'-biphenyl-3-carboxaldehyde,3-biphenyl carboxaldehyde PubChem CID: 121053 IUPAC Name: 3-phenylbenzaldehyde SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C=O
| PubChem CID | 121053 |
|---|---|
| CAS | 1204-60-0 |
| Molecular Weight (g/mol) | 182.222 |
| MDL Number | MFCD01740432 |
| SMILES | C1=CC=C(C=C1)C2=CC(=CC=C2)C=O |
| Synonym | 1,1'-biphenyl-3-carbaldehyde,biphenyl-3-carbaldehyde,3-formylbiphenyl,ccris 3164,biphenyl-3-carboxaldehyde,3-difenilaldeide italian,1,1'-biphenyl-3-carboxaldehyde,3-biphenyl carboxaldehyde |
| IUPAC Name | 3-phenylbenzaldehyde |
| InChI Key | KFKSIUOALVIACE-UHFFFAOYSA-N |
| Molecular Formula | C13H10O |
5,6-Dimethoxy-2-(4-piperidylmethyl)-1-indanone Hydrochloride 98.0+%, TCI America™
CAS: 120013-39-0 Molecular Formula: C17H24ClNO3 Molecular Weight (g/mol): 325.83 MDL Number: MFCD09033179 InChI Key: WOZXDQQCMZIQEG-UHFFFAOYNA-N PubChem CID: 14553606 IUPAC Name: 5,6-dimethoxy-2-[(piperidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-one hydrochloride SMILES: Cl.COC1=C(OC)C=C2C(=O)C(CC3CCNCC3)CC2=C1
| PubChem CID | 14553606 |
|---|---|
| CAS | 120013-39-0 |
| Molecular Weight (g/mol) | 325.83 |
| MDL Number | MFCD09033179 |
| SMILES | Cl.COC1=C(OC)C=C2C(=O)C(CC3CCNCC3)CC2=C1 |
| IUPAC Name | 5,6-dimethoxy-2-[(piperidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-one hydrochloride |
| InChI Key | WOZXDQQCMZIQEG-UHFFFAOYNA-N |
| Molecular Formula | C17H24ClNO3 |
7-Fluoroisatin 98.0+%, TCI America™
CAS: 317-20-4 Molecular Formula: C8H4FNO2 Molecular Weight (g/mol): 165.123 InChI Key: HGBGVEOXPHGSOS-UHFFFAOYSA-N Synonym: 7-fluoroisatin,7-fluoroindoline-2,3-dione,7-fluoro-2,3-indolinedione,1h-indole-2,3-dione, 7-fluoro,7-fluoroindole-1h-2,3-dione,7-fluoroindole-2,3-dione,7-fluoro-2,3-dihydro-1h-indole-2,3-dione,7-fluoroisatine,7-fluoro-1h-benzo d azoline-2,3-dione,7-fluor-1h-indol-2,3-dion PubChem CID: 586418 IUPAC Name: 7-fluoro-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)F)NC(=O)C2=O
| PubChem CID | 586418 |
|---|---|
| CAS | 317-20-4 |
| Molecular Weight (g/mol) | 165.123 |
| SMILES | C1=CC2=C(C(=C1)F)NC(=O)C2=O |
| Synonym | 7-fluoroisatin,7-fluoroindoline-2,3-dione,7-fluoro-2,3-indolinedione,1h-indole-2,3-dione, 7-fluoro,7-fluoroindole-1h-2,3-dione,7-fluoroindole-2,3-dione,7-fluoro-2,3-dihydro-1h-indole-2,3-dione,7-fluoroisatine,7-fluoro-1h-benzo d azoline-2,3-dione,7-fluor-1h-indol-2,3-dion |
| IUPAC Name | 7-fluoro-1H-indole-2,3-dione |
| InChI Key | HGBGVEOXPHGSOS-UHFFFAOYSA-N |
| Molecular Formula | C8H4FNO2 |
Benzo-18-crown 6-Ether 96.0+%, TCI America™
CAS: 14098-24-9 Molecular Formula: C16H24O6 Molecular Weight (g/mol): 312.362 MDL Number: MFCD00062741 InChI Key: DSFHXKRFDFROER-UHFFFAOYSA-N PubChem CID: 585779 IUPAC Name: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene SMILES: C1COCCOCCOC2=CC=CC=C2OCCOCCO1
| PubChem CID | 585779 |
|---|---|
| CAS | 14098-24-9 |
| Molecular Weight (g/mol) | 312.362 |
| MDL Number | MFCD00062741 |
| SMILES | C1COCCOCCOC2=CC=CC=C2OCCOCCO1 |
| IUPAC Name | 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene |
| InChI Key | DSFHXKRFDFROER-UHFFFAOYSA-N |
| Molecular Formula | C16H24O6 |
2-Oxobutyric Acid 98.0+%, TCI America™
CAS: 600-18-0 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.09 MDL Number: MFCD00004164 InChI Key: TYEYBOSBBBHJIV-UHFFFAOYSA-N PubChem CID: 58 ChEBI: CHEBI:30831 IUPAC Name: 2-oxobutanoic acid SMILES: CCC(=O)C(O)=O
| PubChem CID | 58 |
|---|---|
| CAS | 600-18-0 |
| Molecular Weight (g/mol) | 102.09 |
| ChEBI | CHEBI:30831 |
| MDL Number | MFCD00004164 |
| SMILES | CCC(=O)C(O)=O |
| IUPAC Name | 2-oxobutanoic acid |
| InChI Key | TYEYBOSBBBHJIV-UHFFFAOYSA-N |
| Molecular Formula | C4H6O3 |
5-Bromo-2-ethoxypyridine 98.0+%, TCI America™
CAS: 55849-30-4 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.051 MDL Number: MFCD00234311 InChI Key: WQXZKMUZWPUZGL-UHFFFAOYSA-N Synonym: 2-ethoxy-5-bromopyridine,3-bromo-6-ethoxypyridine,5-bromo-2-ethoxy-pyridine,pyridine, 5-bromo-2-ethoxy,zlchem 405,pubchem6235,5-bromo-ethoxy-pyridine,acmc-1avox,5-bromo-2-ethoxy pyridine,ksc497o6h PubChem CID: 817237 IUPAC Name: 5-bromo-2-ethoxypyridine SMILES: CCOC1=NC=C(C=C1)Br
| PubChem CID | 817237 |
|---|---|
| CAS | 55849-30-4 |
| Molecular Weight (g/mol) | 202.051 |
| MDL Number | MFCD00234311 |
| SMILES | CCOC1=NC=C(C=C1)Br |
| Synonym | 2-ethoxy-5-bromopyridine,3-bromo-6-ethoxypyridine,5-bromo-2-ethoxy-pyridine,pyridine, 5-bromo-2-ethoxy,zlchem 405,pubchem6235,5-bromo-ethoxy-pyridine,acmc-1avox,5-bromo-2-ethoxy pyridine,ksc497o6h |
| IUPAC Name | 5-bromo-2-ethoxypyridine |
| InChI Key | WQXZKMUZWPUZGL-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrNO |
cis-4-Methylcyclohexanol 98.0+%, TCI America™
CAS: 7731-28-4 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00064170 InChI Key: MQWCXKGKQLNYQG-UHFFFAOYSA-N Synonym: 4-methylcyclohexanol,trans-4-methylcyclohexanol,cis-4-methylcyclohexanol,cyclohexanol, 4-methyl,1-methyl-4-cyclohexanol,cyclohexanol, 4-methyl-, trans,methyl cyclohexanol,p-methylcyclohexanol,cyclohexanol, 4-methyl-, cis,trans 4-methyl cyclohexanol PubChem CID: 11524 IUPAC Name: 4-methylcyclohexan-1-ol SMILES: CC1CCC(CC1)O
| PubChem CID | 11524 |
|---|---|
| CAS | 7731-28-4 |
| Molecular Weight (g/mol) | 114.188 |
| MDL Number | MFCD00064170 |
| SMILES | CC1CCC(CC1)O |
| Synonym | 4-methylcyclohexanol,trans-4-methylcyclohexanol,cis-4-methylcyclohexanol,cyclohexanol, 4-methyl,1-methyl-4-cyclohexanol,cyclohexanol, 4-methyl-, trans,methyl cyclohexanol,p-methylcyclohexanol,cyclohexanol, 4-methyl-, cis,trans 4-methyl cyclohexanol |
| IUPAC Name | 4-methylcyclohexan-1-ol |
| InChI Key | MQWCXKGKQLNYQG-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
3-Quinolinecarboxaldehyde 96.0+%, TCI America™
CAS: 13669-42-6 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD00006768 InChI Key: RYGIHSLRMNXWCN-UHFFFAOYSA-N Synonym: 3-quinolinecarboxaldehyde,quinoline-3-carboxaldehyde,3-quinolinecarbaldehyde,3-formylquinoline,quinoline-3-aldehyde,quinoline-3 carbaldehyde,rarechem ak ml 0129,3-quinoline carboxaldehyde,quinoline 3-carboxaldehyde,3-quinoline-carboxaldehyde PubChem CID: 83641 IUPAC Name: quinoline-3-carbaldehyde SMILES: C1=CC=C2C(=C1)C=C(C=N2)C=O
| PubChem CID | 83641 |
|---|---|
| CAS | 13669-42-6 |
| Molecular Weight (g/mol) | 157.172 |
| MDL Number | MFCD00006768 |
| SMILES | C1=CC=C2C(=C1)C=C(C=N2)C=O |
| Synonym | 3-quinolinecarboxaldehyde,quinoline-3-carboxaldehyde,3-quinolinecarbaldehyde,3-formylquinoline,quinoline-3-aldehyde,quinoline-3 carbaldehyde,rarechem ak ml 0129,3-quinoline carboxaldehyde,quinoline 3-carboxaldehyde,3-quinoline-carboxaldehyde |
| IUPAC Name | quinoline-3-carbaldehyde |
| InChI Key | RYGIHSLRMNXWCN-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
3-Bromothiophene-2-carboxaldehyde 95.0+%, TCI America™
CAS: 930-96-1 Molecular Formula: C5H3BrOS Molecular Weight (g/mol): 191.04 MDL Number: MFCD00126680 InChI Key: BCZHCWCOQDRYGS-UHFFFAOYSA-N Synonym: 3-bromothiophene-2-carboxaldehyde,3-bromo-2-formylthiophene,3-bromo-2-thiophenecarbaldehyde,3-bromo-2-thiophene carboxaldehyde,3-bromo-thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde, 3-bromo,bromothiophenecarbaldehyde,3-bromothiophene-2-aldehyde,pubchem5327,acmc-209rjz PubChem CID: 2797079 IUPAC Name: 3-bromothiophene-2-carbaldehyde SMILES: BrC1=C(SC=C1)C=O
| PubChem CID | 2797079 |
|---|---|
| CAS | 930-96-1 |
| Molecular Weight (g/mol) | 191.04 |
| MDL Number | MFCD00126680 |
| SMILES | BrC1=C(SC=C1)C=O |
| Synonym | 3-bromothiophene-2-carboxaldehyde,3-bromo-2-formylthiophene,3-bromo-2-thiophenecarbaldehyde,3-bromo-2-thiophene carboxaldehyde,3-bromo-thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde, 3-bromo,bromothiophenecarbaldehyde,3-bromothiophene-2-aldehyde,pubchem5327,acmc-209rjz |
| IUPAC Name | 3-bromothiophene-2-carbaldehyde |
| InChI Key | BCZHCWCOQDRYGS-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrOS |
3-Pentyl Acetoacetate 97.0+%, TCI America™
CAS: 13562-81-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00059415 InChI Key: PFTIWTQFHWICDR-UHFFFAOYSA-N Synonym: Acetoacetic Acid 3-Pentyl Ester, 3-Amyl Acetoacetate, Acetoacetic Acid 3-Amyl Ester PubChem CID: 14677137 IUPAC Name: pentan-3-yl 3-oxobutanoate SMILES: CCC(CC)OC(=O)CC(=O)C
| PubChem CID | 14677137 |
|---|---|
| CAS | 13562-81-7 |
| Molecular Weight (g/mol) | 172.224 |
| MDL Number | MFCD00059415 |
| SMILES | CCC(CC)OC(=O)CC(=O)C |
| Synonym | Acetoacetic Acid 3-Pentyl Ester, 3-Amyl Acetoacetate, Acetoacetic Acid 3-Amyl Ester |
| IUPAC Name | pentan-3-yl 3-oxobutanoate |
| InChI Key | PFTIWTQFHWICDR-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
1-Heptadecanol 97.0+%, TCI America™
CAS: 1454-85-9 Molecular Formula: C17H36O Molecular Weight (g/mol): 256.474 MDL Number: MFCD00002822 InChI Key: GOQYKNQRPGWPLP-UHFFFAOYSA-N Synonym: 1-heptadecanol,heptadecyl alcohol,heptadecanol,n-heptadecanol,unii-n3il85tmcx,1-hydroxyheptadecane,alcohols, c16-18,n3il85tmcx,heptadecanol mixed primary isomers,n-heptadecanol-1 PubChem CID: 15076 ChEBI: CHEBI:77470 IUPAC Name: heptadecan-1-ol SMILES: CCCCCCCCCCCCCCCCCO
| PubChem CID | 15076 |
|---|---|
| CAS | 1454-85-9 |
| Molecular Weight (g/mol) | 256.474 |
| ChEBI | CHEBI:77470 |
| MDL Number | MFCD00002822 |
| SMILES | CCCCCCCCCCCCCCCCCO |
| Synonym | 1-heptadecanol,heptadecyl alcohol,heptadecanol,n-heptadecanol,unii-n3il85tmcx,1-hydroxyheptadecane,alcohols, c16-18,n3il85tmcx,heptadecanol mixed primary isomers,n-heptadecanol-1 |
| IUPAC Name | heptadecan-1-ol |
| InChI Key | GOQYKNQRPGWPLP-UHFFFAOYSA-N |
| Molecular Formula | C17H36O |
2',4',6'-Trimethylacetophenone 97.0+%, TCI America™
CAS: 1667-01-2 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00008735 InChI Key: XWCIICLTKWRWCI-UHFFFAOYSA-N Synonym: 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone PubChem CID: 15461 IUPAC Name: 1-(2,4,6-trimethylphenyl)ethan-1-one SMILES: CC(=O)C1=C(C)C=C(C)C=C1C
| PubChem CID | 15461 |
|---|---|
| CAS | 1667-01-2 |
| Molecular Weight (g/mol) | 162.23 |
| MDL Number | MFCD00008735 |
| SMILES | CC(=O)C1=C(C)C=C(C)C=C1C |
| Synonym | 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone |
| IUPAC Name | 1-(2,4,6-trimethylphenyl)ethan-1-one |
| InChI Key | XWCIICLTKWRWCI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O |
2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione 97.0+%, TCI America™
CAS: 17587-22-3 Molecular Formula: C10H11F7O2 Molecular Weight (g/mol): 296.185 MDL Number: MFCD00000435 InChI Key: SQNZLBOJCWQLGQ-UHFFFAOYSA-N Synonym: 2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione,6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedione,1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedione,3,5-octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl,1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadione,6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-octane-3,5-dione,1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,6-dione,hfod,acmc-209eam,fod-h PubChem CID: 28614 IUPAC Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione SMILES: CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
| PubChem CID | 28614 |
|---|---|
| CAS | 17587-22-3 |
| Molecular Weight (g/mol) | 296.185 |
| MDL Number | MFCD00000435 |
| SMILES | CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Synonym | 2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione,6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedione,1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedione,3,5-octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl,1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadione,6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-octane-3,5-dione,1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,6-dione,hfod,acmc-209eam,fod-h |
| IUPAC Name | 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione |
| InChI Key | SQNZLBOJCWQLGQ-UHFFFAOYSA-N |
| Molecular Formula | C10H11F7O2 |
Ethylene Cyanohydrin 98.0+%, TCI America™
CAS: 109-78-4 Molecular Formula: C3H5NO Molecular Weight (g/mol): 71.079 MDL Number: MFCD00002826 InChI Key: WSGYTJNNHPZFKR-UHFFFAOYSA-N Synonym: 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane PubChem CID: 8011 IUPAC Name: 3-hydroxypropanenitrile SMILES: C(CO)C#N
| PubChem CID | 8011 |
|---|---|
| CAS | 109-78-4 |
| Molecular Weight (g/mol) | 71.079 |
| MDL Number | MFCD00002826 |
| SMILES | C(CO)C#N |
| Synonym | 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane |
| IUPAC Name | 3-hydroxypropanenitrile |
| InChI Key | WSGYTJNNHPZFKR-UHFFFAOYSA-N |
| Molecular Formula | C3H5NO |
3',5'-Dibromo-2'-hydroxyacetophenone 98.0+%, TCI America™
CAS: 22362-66-9 Molecular Formula: C8H6Br2O2 Molecular Weight (g/mol): 293.942 MDL Number: MFCD00191992 InChI Key: RCKHUOIKVIOMGZ-UHFFFAOYSA-N Synonym: 3',5'-dibromo-2'-hydroxyacetophenone,1-3,5-dibromo-2-hydroxyphenyl ethanone,1-3,5-dibromo-2-hydroxyphenyl ethan-1-one,3´,5´-dibromo-2´-hydroxyacetophenone,1-acetyl-3,5-dibromo-2-hydroxybenzene,acmc-1cp7q,2-acetyl-4,6-dibromophenol,dibromooxochromenecarboxylicacid,3/',5/'-dibromo-2/'-hydroxyacetophenone,ethanone,1-3,5-dibromo-2-hydroxyphenyl PubChem CID: 271762 IUPAC Name: 1-(3,5-dibromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1O)Br)Br
| PubChem CID | 271762 |
|---|---|
| CAS | 22362-66-9 |
| Molecular Weight (g/mol) | 293.942 |
| MDL Number | MFCD00191992 |
| SMILES | CC(=O)C1=CC(=CC(=C1O)Br)Br |
| Synonym | 3',5'-dibromo-2'-hydroxyacetophenone,1-3,5-dibromo-2-hydroxyphenyl ethanone,1-3,5-dibromo-2-hydroxyphenyl ethan-1-one,3´,5´-dibromo-2´-hydroxyacetophenone,1-acetyl-3,5-dibromo-2-hydroxybenzene,acmc-1cp7q,2-acetyl-4,6-dibromophenol,dibromooxochromenecarboxylicacid,3/',5/'-dibromo-2/'-hydroxyacetophenone,ethanone,1-3,5-dibromo-2-hydroxyphenyl |
| IUPAC Name | 1-(3,5-dibromo-2-hydroxyphenyl)ethanone |
| InChI Key | RCKHUOIKVIOMGZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O2 |