Organooxygen compounds
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2-Acetylphenylboronic acid, 96%
CAS: 308103-40-4 Molecular Formula: C8H9BO3 Molecular Weight (g/mol): 163.97 MDL Number: MFCD01321263 InChI Key: ZKAOVABYLXQUTI-UHFFFAOYSA-N Synonym: 2-acetylphenyl boronic acid,boronic acid, 2-acetylphenyl,2'-boronoacetophenone,1-2-boronophenyl ethan-1-one,2-acetylbenzeneboronic acid,2-acetylbenzenboronicacid,1-2-dihydroxyboranyl phenyl ethan-1-one,2-acetylphenylboronicacid,pubchem5373,acmc-1agh6 PubChem CID: 2734309 IUPAC Name: (2-acetylphenyl)boronic acid SMILES: CC(=O)C1=CC=CC=C1B(O)O
| PubChem CID | 2734309 |
|---|---|
| CAS | 308103-40-4 |
| Molecular Weight (g/mol) | 163.97 |
| MDL Number | MFCD01321263 |
| SMILES | CC(=O)C1=CC=CC=C1B(O)O |
| Synonym | 2-acetylphenyl boronic acid,boronic acid, 2-acetylphenyl,2'-boronoacetophenone,1-2-boronophenyl ethan-1-one,2-acetylbenzeneboronic acid,2-acetylbenzenboronicacid,1-2-dihydroxyboranyl phenyl ethan-1-one,2-acetylphenylboronicacid,pubchem5373,acmc-1agh6 |
| IUPAC Name | (2-acetylphenyl)boronic acid |
| InChI Key | ZKAOVABYLXQUTI-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO3 |
tert-Butyl propargyl ether, 97%
CAS: 16314-18-4 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD07368651 InChI Key: QIGSPXPODKLGRK-UHFFFAOYSA-N PubChem CID: 7172302 SMILES: CC(C)(C)OCC#C
| PubChem CID | 7172302 |
|---|---|
| CAS | 16314-18-4 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD07368651 |
| SMILES | CC(C)(C)OCC#C |
| InChI Key | QIGSPXPODKLGRK-UHFFFAOYSA-N |
| Molecular Formula | C7H12O |
(R)-4-(1-Hydroxyethyl)pyridine, 99+%, (99+% ee), Thermo Scientific™
CAS: 27854-88-2 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00077865 InChI Key: HVOAMIOKNARIMR-ZCFIWIBFSA-N Synonym: r-1-pyridin-4-yl ethanol,r-+-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethan-1-ol,r-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethanol,r-4-1-hydroxyethyl pyridine,1r-1-pyridin-4-ylethanol,r-1-pyridin-4-yl-ethanol,1r-1-4-pyridyl ethanol PubChem CID: 11804747 IUPAC Name: (1R)-1-pyridin-4-ylethanol SMILES: CC(C1=CC=NC=C1)O
| PubChem CID | 11804747 |
|---|---|
| CAS | 27854-88-2 |
| Molecular Weight (g/mol) | 123.15 |
| MDL Number | MFCD00077865 |
| SMILES | CC(C1=CC=NC=C1)O |
| Synonym | r-1-pyridin-4-yl ethanol,r-+-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethan-1-ol,r-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethanol,r-4-1-hydroxyethyl pyridine,1r-1-pyridin-4-ylethanol,r-1-pyridin-4-yl-ethanol,1r-1-4-pyridyl ethanol |
| IUPAC Name | (1R)-1-pyridin-4-ylethanol |
| InChI Key | HVOAMIOKNARIMR-ZCFIWIBFSA-N |
| Molecular Formula | C7H9NO |
4,4'-Biphenyldicarboxaldehyde, 97%
CAS: 66-98-8 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00016714 InChI Key: FEHLIYXNTWAEBQ-UHFFFAOYSA-N Synonym: 4,4'-biphenyldicarboxaldehyde,1,1'-biphenyl-4,4'-dicarbaldehyde,4,4'-diformylbiphenyl,biphenyl-4,4'-dicarbaldehyde,4,4'-biphenyldicarboxyaldehyde,1,1'-biphenyl-4,4'-dicarboxaldehyde,p,p'-diformylbiphenyl,4-4-formylphenyl benzaldehyde,4,4'-bis formyl biphenyl PubChem CID: 6200 IUPAC Name: 4-(4-formylphenyl)benzaldehyde SMILES: C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C=O
| PubChem CID | 6200 |
|---|---|
| CAS | 66-98-8 |
| Molecular Weight (g/mol) | 210.23 |
| MDL Number | MFCD00016714 |
| SMILES | C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C=O |
| Synonym | 4,4'-biphenyldicarboxaldehyde,1,1'-biphenyl-4,4'-dicarbaldehyde,4,4'-diformylbiphenyl,biphenyl-4,4'-dicarbaldehyde,4,4'-biphenyldicarboxyaldehyde,1,1'-biphenyl-4,4'-dicarboxaldehyde,p,p'-diformylbiphenyl,4-4-formylphenyl benzaldehyde,4,4'-bis formyl biphenyl |
| IUPAC Name | 4-(4-formylphenyl)benzaldehyde |
| InChI Key | FEHLIYXNTWAEBQ-UHFFFAOYSA-N |
| Molecular Formula | C14H10O2 |
6-Fluoroveratraldehyde, 97%
CAS: 71924-62-4 Molecular Formula: C9H9FO3 Molecular Weight (g/mol): 184.17 MDL Number: MFCD00061108 InChI Key: IBBYQNVXKFMSSI-UHFFFAOYSA-N Synonym: 6-fluoroveratraldehyde,4,5-dimethoxy-2-fluorobenzaldehyde,benzaldehyde,2-fluoro-4,5-dimethoxy,benzaldehyde, 2-fluoro-4,5-dimethoxy,pubchem2651,acmc-1bkgo,4.5-dimethoxy-2-fluorobenzaldehyde,2-fluoro-4,5-dimethoxy-benzaldehyde,4,5-dimethoxy-2-fluoro benzaldehyde PubChem CID: 603595 IUPAC Name: 2-fluoro-4,5-dimethoxybenzaldehyde SMILES: COC1=CC(F)=C(C=O)C=C1OC
| PubChem CID | 603595 |
|---|---|
| CAS | 71924-62-4 |
| Molecular Weight (g/mol) | 184.17 |
| MDL Number | MFCD00061108 |
| SMILES | COC1=CC(F)=C(C=O)C=C1OC |
| Synonym | 6-fluoroveratraldehyde,4,5-dimethoxy-2-fluorobenzaldehyde,benzaldehyde,2-fluoro-4,5-dimethoxy,benzaldehyde, 2-fluoro-4,5-dimethoxy,pubchem2651,acmc-1bkgo,4.5-dimethoxy-2-fluorobenzaldehyde,2-fluoro-4,5-dimethoxy-benzaldehyde,4,5-dimethoxy-2-fluoro benzaldehyde |
| IUPAC Name | 2-fluoro-4,5-dimethoxybenzaldehyde |
| InChI Key | IBBYQNVXKFMSSI-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO3 |
(S)-1-Phenyl-1,3-propanediol, 98%
CAS: 96854-34-1 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00221510 InChI Key: RRVFYOSEKOTFOG-VIFPVBQESA-N Synonym: 1s-1-phenylpropane-1,3-diol,s-1-phenyl-1,3-propanediol,s-1-phenylpropane-1,3-diol,1s-phenyl-1,3-propanediol,s-1-phenyl-propane-1,3-diol,s, ?-1-phenyl-1,3-propanediol,1,3-propanediol,1-phenyl-, 1s,1,3-propanediol, 1-phenyl-, 1s,s---1-phenyl-1,3-propanediol, puriss sum of enantiomers, gc PubChem CID: 6950537 IUPAC Name: (1S)-1-phenylpropane-1,3-diol SMILES: C1=CC=C(C=C1)C(CCO)O
| PubChem CID | 6950537 |
|---|---|
| CAS | 96854-34-1 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00221510 |
| SMILES | C1=CC=C(C=C1)C(CCO)O |
| Synonym | 1s-1-phenylpropane-1,3-diol,s-1-phenyl-1,3-propanediol,s-1-phenylpropane-1,3-diol,1s-phenyl-1,3-propanediol,s-1-phenyl-propane-1,3-diol,s, ?-1-phenyl-1,3-propanediol,1,3-propanediol,1-phenyl-, 1s,1,3-propanediol, 1-phenyl-, 1s,s---1-phenyl-1,3-propanediol, puriss sum of enantiomers, gc |
| IUPAC Name | (1S)-1-phenylpropane-1,3-diol |
| InChI Key | RRVFYOSEKOTFOG-VIFPVBQESA-N |
| Molecular Formula | C9H12O2 |
Methyl malonyl chloride, 97%
CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.53 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl
| PubChem CID | 123460 |
|---|---|
| CAS | 37517-81-0 |
| Molecular Weight (g/mol) | 136.53 |
| MDL Number | MFCD00013657 |
| SMILES | COC(=O)CC(=O)Cl |
| IUPAC Name | methyl 3-chloro-3-oxopropanoate |
| InChI Key | UTBCRHAMJFMIIR-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClO3 |
4-(Trifluoromethoxy)benzaldehyde, 99%
CAS: 659-28-9 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00041530 InChI Key: XQNVDQZWOBPLQZ-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy benzaldehyde,p-trifluoromethoxybenzaldehyde,p-trifluoromethoxy benzaldehyde,benzaldehyde, 4-trifluoromethoxy,4-trifluoromethoxy-benzaldehyde,alpha,alpha,alpha-trifluoroanisaldehyde,pubchem1471,acmc-209nsx PubChem CID: 69573 IUPAC Name: 4-(trifluoromethoxy)benzaldehyde SMILES: C1=CC(=CC=C1C=O)OC(F)(F)F
| PubChem CID | 69573 |
|---|---|
| CAS | 659-28-9 |
| Molecular Weight (g/mol) | 190.12 |
| MDL Number | MFCD00041530 |
| SMILES | C1=CC(=CC=C1C=O)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy benzaldehyde,p-trifluoromethoxybenzaldehyde,p-trifluoromethoxy benzaldehyde,benzaldehyde, 4-trifluoromethoxy,4-trifluoromethoxy-benzaldehyde,alpha,alpha,alpha-trifluoroanisaldehyde,pubchem1471,acmc-209nsx |
| IUPAC Name | 4-(trifluoromethoxy)benzaldehyde |
| InChI Key | XQNVDQZWOBPLQZ-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2 |
2-Bromo-4'-nitroacetophenone, 95%
CAS: 99-81-0 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.04 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) | 244.04 |
| 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 |
6-Methoxy-1-indanone, 98%
CAS: 13623-25-1 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00021232 InChI Key: UJGDLLGKMWVCPT-UHFFFAOYSA-N Synonym: 6-methoxy-1-indanone,6-methoxy-1h-indanone,6-methoxy-indan-1-one,6-methoxy-2,3-dihydro-1h-inden-1-one,6-methoxyindan-1-one,2,3-dihydro-6-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-6-methoxy,6-methoxyindanone,6-methoxy indanone,6-methoxy-1-indanon PubChem CID: 334036 IUPAC Name: 6-methoxy-2,3-dihydroinden-1-one SMILES: COC1=CC=C2CCC(=O)C2=C1
| PubChem CID | 334036 |
|---|---|
| CAS | 13623-25-1 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00021232 |
| SMILES | COC1=CC=C2CCC(=O)C2=C1 |
| Synonym | 6-methoxy-1-indanone,6-methoxy-1h-indanone,6-methoxy-indan-1-one,6-methoxy-2,3-dihydro-1h-inden-1-one,6-methoxyindan-1-one,2,3-dihydro-6-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-6-methoxy,6-methoxyindanone,6-methoxy indanone,6-methoxy-1-indanon |
| IUPAC Name | 6-methoxy-2,3-dihydroinden-1-one |
| InChI Key | UJGDLLGKMWVCPT-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
(R)-(+)-2-Methoxypropionic acid, 97%
CAS: 23943-96-6 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD01632582 InChI Key: ICPWFHKNYYRBSZ-GSVOUGTGSA-N Synonym: r-2-methoxypropanoic acid,2r-2-methoxypropanoic acid,unii-ig4dib9v6i,r---2-methoxypropionic acid,propanoic acid, 2-methoxy-, r,2-methoxypropanoic acid, r,r-+-2-methoxypropionic acid,ig4dib9v6i,r-+-2-methoxypropanoic acid,propanoic acid, 2-methoxy-, 2r PubChem CID: 2733584 IUPAC Name: (2R)-2-methoxypropanoic acid SMILES: CC(C(=O)O)OC
| PubChem CID | 2733584 |
|---|---|
| CAS | 23943-96-6 |
| Molecular Weight (g/mol) | 104.11 |
| MDL Number | MFCD01632582 |
| SMILES | CC(C(=O)O)OC |
| Synonym | r-2-methoxypropanoic acid,2r-2-methoxypropanoic acid,unii-ig4dib9v6i,r---2-methoxypropionic acid,propanoic acid, 2-methoxy-, r,2-methoxypropanoic acid, r,r-+-2-methoxypropionic acid,ig4dib9v6i,r-+-2-methoxypropanoic acid,propanoic acid, 2-methoxy-, 2r |
| IUPAC Name | (2R)-2-methoxypropanoic acid |
| InChI Key | ICPWFHKNYYRBSZ-GSVOUGTGSA-N |
| Molecular Formula | C4H8O3 |
5-Bromoisatin, 98%
CAS: 87-48-9 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD00005719 InChI Key: MBVCESWADCIXJN-UHFFFAOYSA-N Synonym: 5-bromoisatin,5-bromoindoline-2,3-dione,5-bromoindole-2,3-dione,isatin, 5-bromo,5-bromisatin,1h-indole-2,3-dione, 5-bromo,5-bromisatin czech,5-bromo-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-bromo,5-bromoisatin monohydrate PubChem CID: 6889 IUPAC Name: 5-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1Br)C(=O)C(=O)N2
| PubChem CID | 6889 |
|---|---|
| CAS | 87-48-9 |
| Molecular Weight (g/mol) | 226.03 |
| MDL Number | MFCD00005719 |
| SMILES | C1=CC2=C(C=C1Br)C(=O)C(=O)N2 |
| Synonym | 5-bromoisatin,5-bromoindoline-2,3-dione,5-bromoindole-2,3-dione,isatin, 5-bromo,5-bromisatin,1h-indole-2,3-dione, 5-bromo,5-bromisatin czech,5-bromo-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-bromo,5-bromoisatin monohydrate |
| IUPAC Name | 5-bromo-1H-indole-2,3-dione |
| InChI Key | MBVCESWADCIXJN-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
4-Chromanone, 96%
CAS: 491-37-2 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 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) | 148.16 |
| 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 propionylacetate, 98%
CAS: 4949-44-4 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC
| PubChem CID | 78656 |
|---|---|
| CAS | 4949-44-4 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009317 |
| SMILES | CCC(=O)CC(=O)OCC |
| Synonym | ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate |
| IUPAC Name | ethyl 3-oxopentanoate |
| InChI Key | UDRCONFHWYGWFI-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Ethyl 3-ethoxypropionate, 99+%, pure, stabilized
CAS: 763-69-9 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00051356 InChI Key: BHXIWUJLHYHGSJ-UHFFFAOYSA-N Synonym: ethyl 3-ethoxypropionate,3-ethoxypropionic acid ethyl ester,propanoic acid, 3-ethoxy-, ethyl ester,eep solvent,ethoxypropionic acid, ethyl ester,ethyl beta-ethoxypropionate,unii-ec38rsj79j,propionic acid, 3-ethoxy-, ethyl ester,ethyl-3-ethoxypropionate,ethylester kyseliny 3-ethoxypropionove PubChem CID: 12989 IUPAC Name: ethyl 3-ethoxypropanoate SMILES: CCOCCC(=O)OCC
| PubChem CID | 12989 |
|---|---|
| CAS | 763-69-9 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD00051356 |
| SMILES | CCOCCC(=O)OCC |
| Synonym | ethyl 3-ethoxypropionate,3-ethoxypropionic acid ethyl ester,propanoic acid, 3-ethoxy-, ethyl ester,eep solvent,ethoxypropionic acid, ethyl ester,ethyl beta-ethoxypropionate,unii-ec38rsj79j,propionic acid, 3-ethoxy-, ethyl ester,ethyl-3-ethoxypropionate,ethylester kyseliny 3-ethoxypropionove |
| IUPAC Name | ethyl 3-ethoxypropanoate |
| InChI Key | BHXIWUJLHYHGSJ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O3 |