Organooxygen compounds
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3-Pyridinecarboxaldehyde 98.0+%, TCI America™
CAS: 500-22-1 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.112 MDL Number: MFCD00006382 InChI Key: QJZUKDFHGGYHMC-UHFFFAOYSA-N Synonym: 3-pyridinecarboxaldehyde,nicotinaldehyde,3-pyridinaldehyde,pyridine-3-carboxaldehyde,3-pyridylcarboxaldehyde,3-pyridylaldehyde,nicotinealdehyde,3-formylpyridine,pyridine-3-aldehyde,nicotinic aldehyde PubChem CID: 10371 ChEBI: CHEBI:28345 IUPAC Name: pyridine-3-carbaldehyde SMILES: C1=CC(=CN=C1)C=O
| PubChem CID | 10371 |
|---|---|
| CAS | 500-22-1 |
| Molecular Weight (g/mol) | 107.112 |
| ChEBI | CHEBI:28345 |
| MDL Number | MFCD00006382 |
| SMILES | C1=CC(=CN=C1)C=O |
| Synonym | 3-pyridinecarboxaldehyde,nicotinaldehyde,3-pyridinaldehyde,pyridine-3-carboxaldehyde,3-pyridylcarboxaldehyde,3-pyridylaldehyde,nicotinealdehyde,3-formylpyridine,pyridine-3-aldehyde,nicotinic aldehyde |
| IUPAC Name | pyridine-3-carbaldehyde |
| InChI Key | QJZUKDFHGGYHMC-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO |
2-Oxoglutaric Acid 99.0+%, TCI America™
CAS: 328-50-7 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00004165 InChI Key: KPGXRSRHYNQIFN-UHFFFAOYSA-N Synonym: 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid PubChem CID: 51 ChEBI: CHEBI:30915 IUPAC Name: 2-oxopentanedioic acid SMILES: C(CC(=O)O)C(=O)C(=O)O
| PubChem CID | 51 |
|---|---|
| CAS | 328-50-7 |
| Molecular Weight (g/mol) | 146.098 |
| ChEBI | CHEBI:30915 |
| MDL Number | MFCD00004165 |
| SMILES | C(CC(=O)O)C(=O)C(=O)O |
| Synonym | 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid |
| IUPAC Name | 2-oxopentanedioic acid |
| InChI Key | KPGXRSRHYNQIFN-UHFFFAOYSA-N |
| Molecular Formula | C5H6O5 |
Raloxifene Hydrochloride 98.0+%, TCI America™
CAS: 82640-04-8 Molecular Formula: C28H28ClNO4S Molecular Weight (g/mol): 510.045 MDL Number: MFCD01938233 InChI Key: BKXVVCILCIUCLG-UHFFFAOYSA-N Synonym: raloxifene hydrochloride,raloxifene hcl,evista,keoxifene hydrochloride,6-hydroxy-2-4-hydroxyphenyl benzo b thiophen-3-yl 4-2-piperidin-1-yl ethoxy phenyl methanone hydrochloride,keoxifene,unii-4f86w47br6,evista raloxifene hydrochloride,6-hydroxy-2-p-hydroxyphenyl benzo b thien-3-yl-p-2-piperidinoethoxy phenyl ketone, hydrochloride PubChem CID: 54900 ChEBI: CHEBI:50740 IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl
| PubChem CID | 54900 |
|---|---|
| CAS | 82640-04-8 |
| Molecular Weight (g/mol) | 510.045 |
| ChEBI | CHEBI:50740 |
| MDL Number | MFCD01938233 |
| SMILES | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl |
| Synonym | raloxifene hydrochloride,raloxifene hcl,evista,keoxifene hydrochloride,6-hydroxy-2-4-hydroxyphenyl benzo b thiophen-3-yl 4-2-piperidin-1-yl ethoxy phenyl methanone hydrochloride,keoxifene,unii-4f86w47br6,evista raloxifene hydrochloride,6-hydroxy-2-p-hydroxyphenyl benzo b thien-3-yl-p-2-piperidinoethoxy phenyl ketone, hydrochloride |
| IUPAC Name | [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride |
| InChI Key | BKXVVCILCIUCLG-UHFFFAOYSA-N |
| Molecular Formula | C28H28ClNO4S |
Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol 98.0+%, TCI America™
CAS: 918-21-8 Molecular Formula: C6H2F12O2 Molecular Weight (g/mol): 334.06 MDL Number: MFCD00427700 InChI Key: GKDCWKGUOZVDFX-UHFFFAOYSA-N Synonym: Perfluoropinacol PubChem CID: 13518 IUPAC Name: 1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol SMILES: OC(C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
| PubChem CID | 13518 |
|---|---|
| CAS | 918-21-8 |
| Molecular Weight (g/mol) | 334.06 |
| MDL Number | MFCD00427700 |
| SMILES | OC(C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F |
| Synonym | Perfluoropinacol |
| IUPAC Name | 1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol |
| InChI Key | GKDCWKGUOZVDFX-UHFFFAOYSA-N |
| Molecular Formula | C6H2F12O2 |
5,6-Dimethoxy-1-indanone 98.0+%, TCI America™
CAS: 2107-69-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 InChI Key: IHMQOBPGHZFGLC-UHFFFAOYSA-N Synonym: 5,6-dimethoxy-1-indanone,5,6-dimethoxy-2,3-dihydro-1h-inden-1-one,5,6-dimethoxyindan-1-one,5,6-dimethoxy-indan-1-one,1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy,5,6-dimethoxyindanone,unii-f805rzi8go,f805rzi8go,1-indanone, 5,6-dimethoxy,5,6-dimethoxyindan-1-on PubChem CID: 75018 IUPAC Name: 5,6-dimethoxy-2,3-dihydroinden-1-one SMILES: COC1=C(C=C2C(=C1)CCC2=O)OC
| PubChem CID | 75018 |
|---|---|
| CAS | 2107-69-9 |
| Molecular Weight (g/mol) | 192.214 |
| SMILES | COC1=C(C=C2C(=C1)CCC2=O)OC |
| Synonym | 5,6-dimethoxy-1-indanone,5,6-dimethoxy-2,3-dihydro-1h-inden-1-one,5,6-dimethoxyindan-1-one,5,6-dimethoxy-indan-1-one,1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy,5,6-dimethoxyindanone,unii-f805rzi8go,f805rzi8go,1-indanone, 5,6-dimethoxy,5,6-dimethoxyindan-1-on |
| IUPAC Name | 5,6-dimethoxy-2,3-dihydroinden-1-one |
| InChI Key | IHMQOBPGHZFGLC-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
1-(Methylamino)anthraquinone 98.0+%, TCI America™
CAS: 82-38-2 Molecular Formula: C15H11NO2 Molecular Weight (g/mol): 237.258 MDL Number: MFCD00001197 InChI Key: SVTDYSXXLJYUTM-UHFFFAOYSA-N PubChem CID: 6706 IUPAC Name: 1-(methylamino)anthracene-9,10-dione SMILES: CNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
| PubChem CID | 6706 |
|---|---|
| CAS | 82-38-2 |
| Molecular Weight (g/mol) | 237.258 |
| MDL Number | MFCD00001197 |
| SMILES | CNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O |
| IUPAC Name | 1-(methylamino)anthracene-9,10-dione |
| InChI Key | SVTDYSXXLJYUTM-UHFFFAOYSA-N |
| Molecular Formula | C15H11NO2 |
2-Methoxy-3-(trifluoromethyl)pyridine 98.0+%, TCI America™
CAS: 121643-44-5 Molecular Formula: C7H6F3NO Molecular Weight (g/mol): 177.13 MDL Number: MFCD00153202 InChI Key: SSAZZVQVJJXPMB-UHFFFAOYSA-N Synonym: 2-methoxy-3-trifluoromethyl pyridine,2-methoxy-3-trifluoromethyl-pyridine,pyridine,2-methoxy-3-trifluoromethyl,pyridine, 2-methoxy-3-trifluoromethyl,pubchem2404,acmc-209aes,tpc-py090,3-trifluoromethyl-2-methoxypyridine PubChem CID: 2775309 IUPAC Name: 2-methoxy-3-(trifluoromethyl)pyridine SMILES: COC1=NC=CC=C1C(F)(F)F
| PubChem CID | 2775309 |
|---|---|
| CAS | 121643-44-5 |
| Molecular Weight (g/mol) | 177.13 |
| MDL Number | MFCD00153202 |
| SMILES | COC1=NC=CC=C1C(F)(F)F |
| Synonym | 2-methoxy-3-trifluoromethyl pyridine,2-methoxy-3-trifluoromethyl-pyridine,pyridine,2-methoxy-3-trifluoromethyl,pyridine, 2-methoxy-3-trifluoromethyl,pubchem2404,acmc-209aes,tpc-py090,3-trifluoromethyl-2-methoxypyridine |
| IUPAC Name | 2-methoxy-3-(trifluoromethyl)pyridine |
| InChI Key | SSAZZVQVJJXPMB-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3NO |
3-(4-Chlorobenzoyl)propionic Acid 98.0+%, TCI America™
CAS: 3984-34-7 Molecular Formula: C10H9ClO3 Molecular Weight (g/mol): 212.63 MDL Number: MFCD00002794 InChI Key: AHVASTJJVAYFPY-UHFFFAOYSA-N Synonym: 4-4-chlorophenyl-4-oxobutanoic acid,3-4-chlorobenzoyl propionic acid,4-4-chloro-phenyl-4-oxo-butyric acid,3-4-chlorobenzoyl propanoic acid,3-p-chlorobenzoyl propionic acid,4-4-chlorophenyl-4-oxobutanoicacid,maybridge1_006214,ncistruc1_000312,ncistruc2_000239,asischem d51605 PubChem CID: 77604 IUPAC Name: 4-(4-chlorophenyl)-4-oxobutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 77604 |
|---|---|
| CAS | 3984-34-7 |
| Molecular Weight (g/mol) | 212.63 |
| MDL Number | MFCD00002794 |
| SMILES | OC(=O)CCC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4-4-chlorophenyl-4-oxobutanoic acid,3-4-chlorobenzoyl propionic acid,4-4-chloro-phenyl-4-oxo-butyric acid,3-4-chlorobenzoyl propanoic acid,3-p-chlorobenzoyl propionic acid,4-4-chlorophenyl-4-oxobutanoicacid,maybridge1_006214,ncistruc1_000312,ncistruc2_000239,asischem d51605 |
| IUPAC Name | 4-(4-chlorophenyl)-4-oxobutanoic acid |
| InChI Key | AHVASTJJVAYFPY-UHFFFAOYSA-N |
| Molecular Formula | C10H9ClO3 |
2,2-Dichloroacetophenone 97.0+%, TCI America™
CAS: 2648-61-5 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.035 MDL Number: MFCD00000844 InChI Key: CERJZAHSUZVMCH-UHFFFAOYSA-N Synonym: 2,2-dichloroacetophenone,phenacylidene chloride,alpha,alpha-dichloroacetophenone,1,1-dichloroacetophenone,ethanone, 2,2-dichloro-1-phenyl,acetophenone, 2,2-dichloro,unii-3vj32jj8lh,.alpha.,.alpha.-dichloroacetophenone,3vj32jj8lh,2,2-dichloro-1-phenyl-ethanone PubChem CID: 72870 IUPAC Name: 2,2-dichloro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(Cl)Cl
| PubChem CID | 72870 |
|---|---|
| CAS | 2648-61-5 |
| Molecular Weight (g/mol) | 189.035 |
| MDL Number | MFCD00000844 |
| SMILES | C1=CC=C(C=C1)C(=O)C(Cl)Cl |
| Synonym | 2,2-dichloroacetophenone,phenacylidene chloride,alpha,alpha-dichloroacetophenone,1,1-dichloroacetophenone,ethanone, 2,2-dichloro-1-phenyl,acetophenone, 2,2-dichloro,unii-3vj32jj8lh,.alpha.,.alpha.-dichloroacetophenone,3vj32jj8lh,2,2-dichloro-1-phenyl-ethanone |
| IUPAC Name | 2,2-dichloro-1-phenylethanone |
| InChI Key | CERJZAHSUZVMCH-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
4-Hydroxy-3-methoxy-alpha-methylbenzyl Alcohol 98.0+%, TCI America™
CAS: 2480-86-6 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00238638 InChI Key: BDRRAMWDUCXAKG-UHFFFAOYNA-N Synonym: 2-Hydroxy-5-(1-hydroxyethyl)anisole, 4-(1-Hydroxyethyl)-2-methoxyphenol PubChem CID: 17203 ChEBI: CHEBI:86590 IUPAC Name: 4-(1-hydroxyethyl)-2-methoxyphenol SMILES: COC1=CC(=CC=C1O)C(C)O
| PubChem CID | 17203 |
|---|---|
| CAS | 2480-86-6 |
| Molecular Weight (g/mol) | 168.19 |
| ChEBI | CHEBI:86590 |
| MDL Number | MFCD00238638 |
| SMILES | COC1=CC(=CC=C1O)C(C)O |
| Synonym | 2-Hydroxy-5-(1-hydroxyethyl)anisole, 4-(1-Hydroxyethyl)-2-methoxyphenol |
| IUPAC Name | 4-(1-hydroxyethyl)-2-methoxyphenol |
| InChI Key | BDRRAMWDUCXAKG-UHFFFAOYNA-N |
| Molecular Formula | C9H12O3 |
2',6'-Dichloroacetophenone 98.0+%, TCI America™
CAS: 2040-05-3 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00016339 InChI Key: HYBDSXBLGCQKRE-UHFFFAOYSA-N Synonym: 2',6'-dichloroacetophenone,1-2,6-dichlorophenyl ethanone,2,6-dichloroacetophenone,1-2,6-dichlorophenyl ethan-1-one,ethanone, 1-2,6-dichlorophenyl,2,6-dichloro acetophenone,1-acetyl-2,6-dichlorobenzene,zlchem 1084,pubchem12362,acmc-1cobf PubChem CID: 74877 IUPAC Name: 1-(2,6-dichlorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1Cl)Cl
| PubChem CID | 74877 |
|---|---|
| CAS | 2040-05-3 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00016339 |
| SMILES | CC(=O)C1=C(C=CC=C1Cl)Cl |
| Synonym | 2',6'-dichloroacetophenone,1-2,6-dichlorophenyl ethanone,2,6-dichloroacetophenone,1-2,6-dichlorophenyl ethan-1-one,ethanone, 1-2,6-dichlorophenyl,2,6-dichloro acetophenone,1-acetyl-2,6-dichlorobenzene,zlchem 1084,pubchem12362,acmc-1cobf |
| IUPAC Name | 1-(2,6-dichlorophenyl)ethanone |
| InChI Key | HYBDSXBLGCQKRE-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
3-Methylthiophene-2-carboxaldehyde 85.0+%, TCI America™
CAS: 5834-16-2 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.173 MDL Number: MFCD00005430 InChI Key: BSQKBHXYEKVKMN-UHFFFAOYSA-N Synonym: 3-methyl-2-thiophenecarboxaldehyde,3-methylthiophene-2-carboxaldehyde,2-formyl-3-methylthiophene,3-methylthiophene-2-aldehyde,3-methyl-2-thiophenecarbaldehyde,3-methyl-2-formylthiophene,3-methyl-2-thiophene carboxaldehyde,2-thiophenecarboxaldehyde, 3-methyl,thiophenecarboxaldehyde, methyl,3-methyl-thiophene-2-carbaldehyde PubChem CID: 79911 IUPAC Name: 3-methylthiophene-2-carbaldehyde SMILES: CC1=C(SC=C1)C=O
| PubChem CID | 79911 |
|---|---|
| CAS | 5834-16-2 |
| Molecular Weight (g/mol) | 126.173 |
| MDL Number | MFCD00005430 |
| SMILES | CC1=C(SC=C1)C=O |
| Synonym | 3-methyl-2-thiophenecarboxaldehyde,3-methylthiophene-2-carboxaldehyde,2-formyl-3-methylthiophene,3-methylthiophene-2-aldehyde,3-methyl-2-thiophenecarbaldehyde,3-methyl-2-formylthiophene,3-methyl-2-thiophene carboxaldehyde,2-thiophenecarboxaldehyde, 3-methyl,thiophenecarboxaldehyde, methyl,3-methyl-thiophene-2-carbaldehyde |
| IUPAC Name | 3-methylthiophene-2-carbaldehyde |
| InChI Key | BSQKBHXYEKVKMN-UHFFFAOYSA-N |
| Molecular Formula | C6H6OS |
Ketanserin 98.0+%, TCI America™
CAS: 74050-98-9 Molecular Formula: C22H22FN3O3 Molecular Weight (g/mol): 395.434 MDL Number: MFCD00083392 InChI Key: FPCCSQOGAWCVBH-UHFFFAOYSA-N Synonym: 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione PubChem CID: 3822 ChEBI: CHEBI:6123 IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O
| PubChem CID | 3822 |
|---|---|
| CAS | 74050-98-9 |
| Molecular Weight (g/mol) | 395.434 |
| ChEBI | CHEBI:6123 |
| MDL Number | MFCD00083392 |
| SMILES | C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O |
| Synonym | 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione |
| IUPAC Name | 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione |
| InChI Key | FPCCSQOGAWCVBH-UHFFFAOYSA-N |
| Molecular Formula | C22H22FN3O3 |
2-Bromo-2',4'-difluoroacetophenone 98.0+%, TCI America™
CAS: 102429-07-2 Molecular Formula: C8H5BrF2O Molecular Weight (g/mol): 235.028 MDL Number: MFCD00142822 InChI Key: CSGDTHXBRAAOHV-UHFFFAOYSA-N Synonym: 2-bromo-2',4'-difluoroacetophenone,2-bromo-1-2,4-difluorophenyl ethanone,2,4-difluorophenacyl bromide,2-bromo-1-2,4-difluorophenyl ethan-1-one,2-bromo-1-2,4-difluoro-phenyl-ethanone,2',4'-difluorophenacyl bromide,2-bromo-2,4-difluoroacetophenone,ethanone, 2-bromo-1-2,4-difluorophenyl,alpha-bromo-2',4'-difluoroacetophenone,acmc-1c4aw PubChem CID: 2774185 IUPAC Name: 2-bromo-1-(2,4-difluorophenyl)ethanone SMILES: C1=CC(=C(C=C1F)F)C(=O)CBr
| PubChem CID | 2774185 |
|---|---|
| CAS | 102429-07-2 |
| Molecular Weight (g/mol) | 235.028 |
| MDL Number | MFCD00142822 |
| SMILES | C1=CC(=C(C=C1F)F)C(=O)CBr |
| Synonym | 2-bromo-2',4'-difluoroacetophenone,2-bromo-1-2,4-difluorophenyl ethanone,2,4-difluorophenacyl bromide,2-bromo-1-2,4-difluorophenyl ethan-1-one,2-bromo-1-2,4-difluoro-phenyl-ethanone,2',4'-difluorophenacyl bromide,2-bromo-2,4-difluoroacetophenone,ethanone, 2-bromo-1-2,4-difluorophenyl,alpha-bromo-2',4'-difluoroacetophenone,acmc-1c4aw |
| IUPAC Name | 2-bromo-1-(2,4-difluorophenyl)ethanone |
| InChI Key | CSGDTHXBRAAOHV-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrF2O |