Organooxygen compounds
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Buflomedil Hydrochloride 98.0+%, TCI America™
CAS: 35543-24-9 Molecular Formula: C17H26ClNO4 Molecular Weight (g/mol): 343.848 MDL Number: MFCD00078965 InChI Key: ZDPACSAHMZADFZ-UHFFFAOYSA-N Synonym: 4-(1-Pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone Hydrochloride PubChem CID: 6420013 IUPAC Name: 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride SMILES: COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.Cl
| PubChem CID | 6420013 |
|---|---|
| CAS | 35543-24-9 |
| Molecular Weight (g/mol) | 343.848 |
| MDL Number | MFCD00078965 |
| SMILES | COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.Cl |
| Synonym | 4-(1-Pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone Hydrochloride |
| IUPAC Name | 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride |
| InChI Key | ZDPACSAHMZADFZ-UHFFFAOYSA-N |
| Molecular Formula | C17H26ClNO4 |
Trimethyl Orthovalerate 97.0+%, TCI America™
CAS: 13820-09-2 Molecular Formula: C8H18O3 Molecular Weight (g/mol): 162.229 MDL Number: MFCD00008481 InChI Key: XUXVVQKJULMMKX-UHFFFAOYSA-N Synonym: trimethyl orthovalerate,pentane, 1,1,1-trimethoxy,unii-w0x9mom6vz,trimethylorthovalerate,orthovaleric acid, trimethyl ester,ortho-n-valeric acid trimethyl ester,w0x9mom6vz,trimethyl-2-valerate,trimethyl ortho-n-valerate,1,1,1-trimethoxy-pentan PubChem CID: 83755 IUPAC Name: 1,1,1-trimethoxypentane SMILES: CCCCC(OC)(OC)OC
| PubChem CID | 83755 |
|---|---|
| CAS | 13820-09-2 |
| Molecular Weight (g/mol) | 162.229 |
| MDL Number | MFCD00008481 |
| SMILES | CCCCC(OC)(OC)OC |
| Synonym | trimethyl orthovalerate,pentane, 1,1,1-trimethoxy,unii-w0x9mom6vz,trimethylorthovalerate,orthovaleric acid, trimethyl ester,ortho-n-valeric acid trimethyl ester,w0x9mom6vz,trimethyl-2-valerate,trimethyl ortho-n-valerate,1,1,1-trimethoxy-pentan |
| IUPAC Name | 1,1,1-trimethoxypentane |
| InChI Key | XUXVVQKJULMMKX-UHFFFAOYSA-N |
| Molecular Formula | C8H18O3 |
1,3-Bis(2-hydroxyethylsulfonyl)-2-propanol 93.0+%, TCI America™
CAS: 67006-34-2 Molecular Formula: C7H16O7S2 Molecular Weight (g/mol): 276.318 InChI Key: CVFXDAXIZHJZAH-UHFFFAOYSA-N PubChem CID: 11437335 IUPAC Name: 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol SMILES: C(CS(=O)(=O)CC(CS(=O)(=O)CCO)O)O
| PubChem CID | 11437335 |
|---|---|
| CAS | 67006-34-2 |
| Molecular Weight (g/mol) | 276.318 |
| SMILES | C(CS(=O)(=O)CC(CS(=O)(=O)CCO)O)O |
| IUPAC Name | 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol |
| InChI Key | CVFXDAXIZHJZAH-UHFFFAOYSA-N |
| Molecular Formula | C7H16O7S2 |
1,2-Bis(2-iodoethoxy)ethane (stabilized with Copper chip) 96.0+%, TCI America™
CAS: 36839-55-1 Molecular Formula: C6H12I2O2 Molecular Weight (g/mol): 369.969 MDL Number: MFCD00075008 InChI Key: BCAGFJXMCZSAHD-UHFFFAOYSA-N Synonym: 1,2-bis 2-iodoethoxy ethane,ethane,1,2-bis 2-iodoethoxy,1-iodo-2-2-2-iodoethoxy ethoxy ethane,diiodine-peg3,acmc-209tta,1,2-bis 2-iodoethoxy-ethane,1,2-bis-2-iodoethoxy ethane,1,2-bis 2-iodanylethoxy ethane,1,2-bis-2-iodoethyloxy ethane,ethane, 1,2-bis 2-iodoethoxy PubChem CID: 593436 IUPAC Name: 1,2-bis(2-iodoethoxy)ethane SMILES: C(COCCI)OCCI
| PubChem CID | 593436 |
|---|---|
| CAS | 36839-55-1 |
| Molecular Weight (g/mol) | 369.969 |
| MDL Number | MFCD00075008 |
| SMILES | C(COCCI)OCCI |
| Synonym | 1,2-bis 2-iodoethoxy ethane,ethane,1,2-bis 2-iodoethoxy,1-iodo-2-2-2-iodoethoxy ethoxy ethane,diiodine-peg3,acmc-209tta,1,2-bis 2-iodoethoxy-ethane,1,2-bis-2-iodoethoxy ethane,1,2-bis 2-iodanylethoxy ethane,1,2-bis-2-iodoethyloxy ethane,ethane, 1,2-bis 2-iodoethoxy |
| IUPAC Name | 1,2-bis(2-iodoethoxy)ethane |
| InChI Key | BCAGFJXMCZSAHD-UHFFFAOYSA-N |
| Molecular Formula | C6H12I2O2 |
Glyoxylic Acid (ca. 50% in Water, ca. 9mol/L), TCI America™
CAS: 298-12-4 Molecular Formula: C2H2O3 Molecular Weight (g/mol): 74.035 MDL Number: MFCD00006958 InChI Key: HHLFWLYXYJOTON-UHFFFAOYSA-N Synonym: glyoxylic acid,2-oxoacetic acid,oxoacetic acid,oxoethanoic acid,glyoxalic acid,formylformic acid,acetic acid, oxo,oxalaldehydic acid,glyoxylate,alpha-ketoacetic acid PubChem CID: 760 ChEBI: CHEBI:16891 IUPAC Name: oxaldehydic acid SMILES: C(=O)C(=O)O
| PubChem CID | 760 |
|---|---|
| CAS | 298-12-4 |
| Molecular Weight (g/mol) | 74.035 |
| ChEBI | CHEBI:16891 |
| MDL Number | MFCD00006958 |
| SMILES | C(=O)C(=O)O |
| Synonym | glyoxylic acid,2-oxoacetic acid,oxoacetic acid,oxoethanoic acid,glyoxalic acid,formylformic acid,acetic acid, oxo,oxalaldehydic acid,glyoxylate,alpha-ketoacetic acid |
| IUPAC Name | oxaldehydic acid |
| InChI Key | HHLFWLYXYJOTON-UHFFFAOYSA-N |
| Molecular Formula | C2H2O3 |
4-Acetylphenyl Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 109613-00-5 Molecular Formula: C9H7F3O4S Molecular Weight (g/mol): 268.206 MDL Number: MFCD00191706 InChI Key: RUMMIUOXQGFCEP-UHFFFAOYSA-N Synonym: 4-Acetylphenyl Triflate, Trifluoromethanesulfonic Acid 4-Acetylphenyl Ester PubChem CID: 2769355 IUPAC Name: (4-acetylphenyl) trifluoromethanesulfonate SMILES: CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F
| PubChem CID | 2769355 |
|---|---|
| CAS | 109613-00-5 |
| Molecular Weight (g/mol) | 268.206 |
| MDL Number | MFCD00191706 |
| SMILES | CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F |
| Synonym | 4-Acetylphenyl Triflate, Trifluoromethanesulfonic Acid 4-Acetylphenyl Ester |
| IUPAC Name | (4-acetylphenyl) trifluoromethanesulfonate |
| InChI Key | RUMMIUOXQGFCEP-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O4S |
1,1,2,3,3,3-Hexafluoropropyl Methyl Ether 98.0+%, TCI America™
CAS: 382-34-3 Molecular Formula: C4H4F6O Molecular Weight (g/mol): 182.065 MDL Number: MFCD00041537 InChI Key: PKMXTDVNDDDCSY-UHFFFAOYSA-N PubChem CID: 2778364 IUPAC Name: 1,1,1,2,3,3-hexafluoro-3-methoxypropane SMILES: COC(C(C(F)(F)F)F)(F)F
| PubChem CID | 2778364 |
|---|---|
| CAS | 382-34-3 |
| Molecular Weight (g/mol) | 182.065 |
| MDL Number | MFCD00041537 |
| SMILES | COC(C(C(F)(F)F)F)(F)F |
| IUPAC Name | 1,1,1,2,3,3-hexafluoro-3-methoxypropane |
| InChI Key | PKMXTDVNDDDCSY-UHFFFAOYSA-N |
| Molecular Formula | C4H4F6O |
Ethyl (4-Bromobenzoyl)acetate 98.0+%, TCI America™
CAS: 26510-95-2 Molecular Formula: C11H11BrO3 Molecular Weight (g/mol): 271.11 MDL Number: MFCD00231243 InChI Key: PBDYXCKRDRCJDC-UHFFFAOYSA-N Synonym: ethyl 3-4-bromophenyl-3-oxopropanoate,ethyl 4-bromobenzoyl acetate,ethyl 4-bromobenzoylacetate,3-4-bromo-phenyl-3-oxo-propionic acid ethyl ester,3-4-bromophenyl-3-oxo-propionic acid ethyl ester,ethyl 3-4-bromophenyl-3-oxo-propionate,benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester,ethyl p-bromobenzoyl acetate,benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester PubChem CID: 2757149 IUPAC Name: ethyl 3-(4-bromophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)Br
| PubChem CID | 2757149 |
|---|---|
| CAS | 26510-95-2 |
| Molecular Weight (g/mol) | 271.11 |
| MDL Number | MFCD00231243 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)Br |
| Synonym | ethyl 3-4-bromophenyl-3-oxopropanoate,ethyl 4-bromobenzoyl acetate,ethyl 4-bromobenzoylacetate,3-4-bromo-phenyl-3-oxo-propionic acid ethyl ester,3-4-bromophenyl-3-oxo-propionic acid ethyl ester,ethyl 3-4-bromophenyl-3-oxo-propionate,benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester,ethyl p-bromobenzoyl acetate,benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester |
| IUPAC Name | ethyl 3-(4-bromophenyl)-3-oxopropanoate |
| InChI Key | PBDYXCKRDRCJDC-UHFFFAOYSA-N |
| Molecular Formula | C11H11BrO3 |
2-Acetyl-1-methylpyrrole 98.0+%, TCI America™
CAS: 932-16-1 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00003089 InChI Key: NZFLWVDXYUGFAV-UHFFFAOYSA-N Synonym: 2-acetyl-1-methylpyrrole,n-methyl-2-acetylpyrrole,1-1-methyl-1h-pyrrol-2-yl ethanone,1-1-methylpyrrol-2-yl ethanone,1-methyl-2-acetylpyrrole,2-acetyl-n-methylpyrrole,ethanone, 1-1-methyl-1h-pyrrol-2-yl,methyl 1-methylpyrrol-2-yl ketone,1-1-methyl-1h-pyrrol-2-yl ethan-1-one,2-acetyl-1-methyl pyrrole PubChem CID: 61240 ChEBI: CHEBI:59982 IUPAC Name: 1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one SMILES: CN1C=CC=C1C(C)=O
| PubChem CID | 61240 |
|---|---|
| CAS | 932-16-1 |
| Molecular Weight (g/mol) | 123.16 |
| ChEBI | CHEBI:59982 |
| MDL Number | MFCD00003089 |
| SMILES | CN1C=CC=C1C(C)=O |
| Synonym | 2-acetyl-1-methylpyrrole,n-methyl-2-acetylpyrrole,1-1-methyl-1h-pyrrol-2-yl ethanone,1-1-methylpyrrol-2-yl ethanone,1-methyl-2-acetylpyrrole,2-acetyl-n-methylpyrrole,ethanone, 1-1-methyl-1h-pyrrol-2-yl,methyl 1-methylpyrrol-2-yl ketone,1-1-methyl-1h-pyrrol-2-yl ethan-1-one,2-acetyl-1-methyl pyrrole |
| IUPAC Name | 1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one |
| InChI Key | NZFLWVDXYUGFAV-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
2,2',4'-Trichloroacetophenone 98.0+%, TCI America™
CAS: 4252-78-2 Molecular Formula: C8H5Cl3O Molecular Weight (g/mol): 223.477 MDL Number: MFCD00000934 InChI Key: VYWPPRLJNVHPEU-UHFFFAOYSA-N Synonym: 2,2',4'-trichloroacetophenone,2-chloro-1-2,4-dichlorophenyl ethanone,2,4-dichlorophenacyl chloride,unii-2e35p7hji2,2-chloro-1-2,4-dichlorophenyl ethan-1-one,ccris 633,ethanone, 2-chloro-1-2,4-dichlorophenyl,2,2,4-trichloroacetophenone,dsstox_cid_6190,1-2,4-dichlorophenyl-2-chloroethan-1-one PubChem CID: 20250 IUPAC Name: 2-chloro-1-(2,4-dichlorophenyl)ethanone SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)CCl
| PubChem CID | 20250 |
|---|---|
| CAS | 4252-78-2 |
| Molecular Weight (g/mol) | 223.477 |
| MDL Number | MFCD00000934 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)CCl |
| Synonym | 2,2',4'-trichloroacetophenone,2-chloro-1-2,4-dichlorophenyl ethanone,2,4-dichlorophenacyl chloride,unii-2e35p7hji2,2-chloro-1-2,4-dichlorophenyl ethan-1-one,ccris 633,ethanone, 2-chloro-1-2,4-dichlorophenyl,2,2,4-trichloroacetophenone,dsstox_cid_6190,1-2,4-dichlorophenyl-2-chloroethan-1-one |
| IUPAC Name | 2-chloro-1-(2,4-dichlorophenyl)ethanone |
| InChI Key | VYWPPRLJNVHPEU-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl3O |
Diethyl 2-Propynylmalonate 97.0+%, TCI America™
CAS: 17920-23-9 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00091967 InChI Key: FKXOELIKVUIBLP-UHFFFAOYSA-N Synonym: 2-Propynylmalonic Acid Diethyl Ester, Diethyl Propargylmalonate, Propargylmalonic Acid Diethyl Ester PubChem CID: 28835 IUPAC Name: diethyl 2-prop-2-ynylpropanedioate SMILES: CCOC(=O)C(CC#C)C(=O)OCC
| PubChem CID | 28835 |
|---|---|
| CAS | 17920-23-9 |
| Molecular Weight (g/mol) | 198.218 |
| MDL Number | MFCD00091967 |
| SMILES | CCOC(=O)C(CC#C)C(=O)OCC |
| Synonym | 2-Propynylmalonic Acid Diethyl Ester, Diethyl Propargylmalonate, Propargylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-prop-2-ynylpropanedioate |
| InChI Key | FKXOELIKVUIBLP-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
4,4'-Diacetylbiphenyl 99.0+%, TCI America™
CAS: 787-69-9 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.286 MDL Number: MFCD00017248 InChI Key: YSTSBXDVNKYPTR-UHFFFAOYSA-N Synonym: 4,4'-diacetylbiphenyl,4,4'-diacetyl biphenyl,1-4-4-acetylphenyl phenyl ethanone,4,4-diacetylbiphenyl,1,1'-1,1'-biphenyl-4,4'-diyl diethanone,1-4'-acetyl 1,1'-biphenyl-4-yl ethanone,ethanone, 1,1'-1,1'-biphenyl-4,4'-diylbis,1-acetyl-4-4-acetylphenyl benzene,1-4'-acetyl-1,1'-biphenyl-4-yl ethanone,diacetyl biphenyl PubChem CID: 301558 IUPAC Name: 1-[4-(4-acetylphenyl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C
| PubChem CID | 301558 |
|---|---|
| CAS | 787-69-9 |
| Molecular Weight (g/mol) | 238.286 |
| MDL Number | MFCD00017248 |
| SMILES | CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C |
| Synonym | 4,4'-diacetylbiphenyl,4,4'-diacetyl biphenyl,1-4-4-acetylphenyl phenyl ethanone,4,4-diacetylbiphenyl,1,1'-1,1'-biphenyl-4,4'-diyl diethanone,1-4'-acetyl 1,1'-biphenyl-4-yl ethanone,ethanone, 1,1'-1,1'-biphenyl-4,4'-diylbis,1-acetyl-4-4-acetylphenyl benzene,1-4'-acetyl-1,1'-biphenyl-4-yl ethanone,diacetyl biphenyl |
| IUPAC Name | 1-[4-(4-acetylphenyl)phenyl]ethanone |
| InChI Key | YSTSBXDVNKYPTR-UHFFFAOYSA-N |
| Molecular Formula | C16H14O2 |
4'-Acetamidoacetophenone 98.0+%, TCI America™
CAS: 2719-21-3 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD00014965 InChI Key: WECHHDJTILFYQT-UHFFFAOYSA-N Synonym: 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone PubChem CID: 75937 IUPAC Name: N-(4-acetylphenyl)acetamide SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C
| PubChem CID | 75937 |
|---|---|
| CAS | 2719-21-3 |
| Molecular Weight (g/mol) | 177.203 |
| MDL Number | MFCD00014965 |
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)C |
| Synonym | 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone |
| IUPAC Name | N-(4-acetylphenyl)acetamide |
| InChI Key | WECHHDJTILFYQT-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO2 |
4-Ethoxybenzaldehyde 98.0+%, TCI America™
CAS: 10031-82-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00003388 InChI Key: JRHHJNMASOIRDS-UHFFFAOYSA-N Synonym: benzaldehyde, 4-ethoxy,p-ethoxybenzaldehyde,ethoxybenzaldehyde,benzaldehyde, p-ethoxy,homoanisaldehyde,4-ethyloxy benzaldehyde,unii-gow1h0f49a,fema no. 2413,4-ethoxy-benzaldehyde,ethoxybenzaldehyde, p PubChem CID: 24834 IUPAC Name: 4-ethoxybenzaldehyde SMILES: CCOC1=CC=C(C=O)C=C1
| PubChem CID | 24834 |
|---|---|
| CAS | 10031-82-0 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00003388 |
| SMILES | CCOC1=CC=C(C=O)C=C1 |
| Synonym | benzaldehyde, 4-ethoxy,p-ethoxybenzaldehyde,ethoxybenzaldehyde,benzaldehyde, p-ethoxy,homoanisaldehyde,4-ethyloxy benzaldehyde,unii-gow1h0f49a,fema no. 2413,4-ethoxy-benzaldehyde,ethoxybenzaldehyde, p |
| IUPAC Name | 4-ethoxybenzaldehyde |
| InChI Key | JRHHJNMASOIRDS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
3-Hydroxybenzaldehyde 98.0+%, TCI America™
CAS: 100-83-4 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00003368 InChI Key: IAVREABSGIHHMO-UHFFFAOYSA-N Synonym: m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde PubChem CID: 101 ChEBI: CHEBI:16207 IUPAC Name: 3-hydroxybenzaldehyde SMILES: C1=CC(=CC(=C1)O)C=O
| PubChem CID | 101 |
|---|---|
| CAS | 100-83-4 |
| Molecular Weight (g/mol) | 122.123 |
| ChEBI | CHEBI:16207 |
| MDL Number | MFCD00003368 |
| SMILES | C1=CC(=CC(=C1)O)C=O |
| Synonym | m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde |
| IUPAC Name | 3-hydroxybenzaldehyde |
| InChI Key | IAVREABSGIHHMO-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |