Organooxygen compounds
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3-(4-Fluorobenzoyl)propionic Acid 97.0+%, TCI America™
CAS: 366-77-8 Molecular Formula: C10H9FO3 Molecular Weight (g/mol): 196.177 MDL Number: MFCD00002793 InChI Key: WUYWHIAAQYQKPP-UHFFFAOYSA-N Synonym: 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid PubChem CID: 101359 IUPAC Name: 4-(4-fluorophenyl)-4-oxobutanoic acid SMILES: C1=CC(=CC=C1C(=O)CCC(=O)O)F
| PubChem CID | 101359 |
|---|---|
| CAS | 366-77-8 |
| Molecular Weight (g/mol) | 196.177 |
| MDL Number | MFCD00002793 |
| SMILES | C1=CC(=CC=C1C(=O)CCC(=O)O)F |
| Synonym | 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid |
| IUPAC Name | 4-(4-fluorophenyl)-4-oxobutanoic acid |
| InChI Key | WUYWHIAAQYQKPP-UHFFFAOYSA-N |
| Molecular Formula | C10H9FO3 |
Benzyl 2-Hydroxyphenyl Ketone 98.0+%, TCI America™
CAS: 2491-31-8 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00218589 InChI Key: VGHVJQXWDXRTRJ-UHFFFAOYSA-N Synonym: 2′C-Hydroxy-2-phenylacetophenone PubChem CID: 137612 IUPAC Name: 1-(2-hydroxyphenyl)-2-phenylethan-1-one SMILES: OC1=CC=CC=C1C(=O)CC1=CC=CC=C1
| PubChem CID | 137612 |
|---|---|
| CAS | 2491-31-8 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00218589 |
| SMILES | OC1=CC=CC=C1C(=O)CC1=CC=CC=C1 |
| Synonym | 2′C-Hydroxy-2-phenylacetophenone |
| IUPAC Name | 1-(2-hydroxyphenyl)-2-phenylethan-1-one |
| InChI Key | VGHVJQXWDXRTRJ-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
2-Chloro-6-methoxybenzothiazole 96.0+%, TCI America™
CAS: 2605-14-3 Molecular Formula: C8H6ClNOS Molecular Weight (g/mol): 199.65 MDL Number: MFCD00671510 InChI Key: FVUFTABOJFRHSU-UHFFFAOYSA-N Synonym: 2-chloro-6-methoxybenzo d thiazole,2-chloro-6-methoxybenzothiazole,2-chloro-6-methoxy-benzothiazole,benzothiazole, 2-chloro-6-methoxy,6-methoxy-2-chlorobenzothiazole,pubchem17253,acmc-1cipm,chloromethoxybenzothiazole,ksc495g2l,2-chloro-6-methoxy benzothiazole PubChem CID: 273132 IUPAC Name: 2-chloro-6-methoxy-1,3-benzothiazole SMILES: COC1=CC=C2N=C(Cl)SC2=C1
| PubChem CID | 273132 |
|---|---|
| CAS | 2605-14-3 |
| Molecular Weight (g/mol) | 199.65 |
| MDL Number | MFCD00671510 |
| SMILES | COC1=CC=C2N=C(Cl)SC2=C1 |
| Synonym | 2-chloro-6-methoxybenzo d thiazole,2-chloro-6-methoxybenzothiazole,2-chloro-6-methoxy-benzothiazole,benzothiazole, 2-chloro-6-methoxy,6-methoxy-2-chlorobenzothiazole,pubchem17253,acmc-1cipm,chloromethoxybenzothiazole,ksc495g2l,2-chloro-6-methoxy benzothiazole |
| IUPAC Name | 2-chloro-6-methoxy-1,3-benzothiazole |
| InChI Key | FVUFTABOJFRHSU-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNOS |
1-Bromo-3,3,3-trifluoroacetone 95.0+%, TCI America™
CAS: 431-35-6 Molecular Formula: C3H2BrF3O Molecular Weight (g/mol): 190.95 MDL Number: MFCD00039237 InChI Key: ONZQYZKCUHFORE-UHFFFAOYSA-N Synonym: 3-bromo-1,1,1-trifluoroacetone,1-bromo-3,3,3-trifluoroacetone,bromotrifluoroacetone,3-bromo-1,1,1-trifluoro-2-propanone,3-bromo-1,1,1-trifluoropropanone,1-bromo-3,3,3-trifluoro-2-propanone,2-propanone, 3-bromo-1,1,1-trifluoro,1,1,1-trifluoro-3-bromopropanone,3-bromo-1,1,1-trifluoro-propan-2-one,bromotrifloroacetone PubChem CID: 79008 IUPAC Name: 3-bromo-1,1,1-trifluoropropan-2-one SMILES: FC(F)(F)C(=O)CBr
| PubChem CID | 79008 |
|---|---|
| CAS | 431-35-6 |
| Molecular Weight (g/mol) | 190.95 |
| MDL Number | MFCD00039237 |
| SMILES | FC(F)(F)C(=O)CBr |
| Synonym | 3-bromo-1,1,1-trifluoroacetone,1-bromo-3,3,3-trifluoroacetone,bromotrifluoroacetone,3-bromo-1,1,1-trifluoro-2-propanone,3-bromo-1,1,1-trifluoropropanone,1-bromo-3,3,3-trifluoro-2-propanone,2-propanone, 3-bromo-1,1,1-trifluoro,1,1,1-trifluoro-3-bromopropanone,3-bromo-1,1,1-trifluoro-propan-2-one,bromotrifloroacetone |
| IUPAC Name | 3-bromo-1,1,1-trifluoropropan-2-one |
| InChI Key | ONZQYZKCUHFORE-UHFFFAOYSA-N |
| Molecular Formula | C3H2BrF3O |
3,3-Dimethyl-2-oxobutyric Acid 98.0+%, TCI America™
CAS: 815-17-8 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00154352 InChI Key: IAWVHZJZHDSEOC-UHFFFAOYSA-N Synonym: 3,3-dimethyl-2-oxobutyric acid,trimethylpyruvic acid,butanoic acid, 3,3-dimethyl-2-oxo,pyruvic acid, trimethyl,glyoxylic acid, tert-butyl,unii-29cl615clh,3,3-dimethyl-2-oxo-butanoic acid,butyric acid, 3,3-dimethyl-2-oxo,tert-butylglyoxylic acid,trimethlpyruvic acid PubChem CID: 13150 IUPAC Name: 3,3-dimethyl-2-oxobutanoic acid SMILES: CC(C)(C)C(=O)C(=O)O
| PubChem CID | 13150 |
|---|---|
| CAS | 815-17-8 |
| Molecular Weight (g/mol) | 130.143 |
| MDL Number | MFCD00154352 |
| SMILES | CC(C)(C)C(=O)C(=O)O |
| Synonym | 3,3-dimethyl-2-oxobutyric acid,trimethylpyruvic acid,butanoic acid, 3,3-dimethyl-2-oxo,pyruvic acid, trimethyl,glyoxylic acid, tert-butyl,unii-29cl615clh,3,3-dimethyl-2-oxo-butanoic acid,butyric acid, 3,3-dimethyl-2-oxo,tert-butylglyoxylic acid,trimethlpyruvic acid |
| IUPAC Name | 3,3-dimethyl-2-oxobutanoic acid |
| InChI Key | IAWVHZJZHDSEOC-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
2'-Methylacetophenone 98.0+%, TCI America™
CAS: 577-16-2 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00008734 InChI Key: YXWWHNCQZBVZPV-UHFFFAOYSA-N Synonym: 2'-methylacetophenone,1-o-tolyl ethanone,2-methylacetophenone,o-methylacetophenone,2-acetyltoluene,o-acetyltoluene,1-2-methylphenyl ethanone,ethanone, 1-2-methylphenyl,2'-methylacetylphenone,acetophenone, 2'-methyl PubChem CID: 11340 IUPAC Name: 1-(2-methylphenyl)ethanone SMILES: CC1=CC=CC=C1C(=O)C
| PubChem CID | 11340 |
|---|---|
| CAS | 577-16-2 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00008734 |
| SMILES | CC1=CC=CC=C1C(=O)C |
| Synonym | 2'-methylacetophenone,1-o-tolyl ethanone,2-methylacetophenone,o-methylacetophenone,2-acetyltoluene,o-acetyltoluene,1-2-methylphenyl ethanone,ethanone, 1-2-methylphenyl,2'-methylacetylphenone,acetophenone, 2'-methyl |
| IUPAC Name | 1-(2-methylphenyl)ethanone |
| InChI Key | YXWWHNCQZBVZPV-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
3-Bromo-1-propanol 93.0+%, TCI America™
CAS: 627-18-9 Molecular Formula: C3H7BrO Molecular Weight (g/mol): 138.99 MDL Number: MFCD00002942 InChI Key: RQFUZUMFPRMVDX-UHFFFAOYSA-N Synonym: 3-bromo-1-propanol,trimethylene bromohydrin,1-propanol, 3-bromo,3-bromopropanol,3-hydroxypropyl bromide,1-bromo-3-propanol,3-bromo-propan-1-ol,ccris 5979,1-bromo-3-hydroxypropane,unii-3t4axh68fh PubChem CID: 12308 IUPAC Name: 3-bromopropan-1-ol SMILES: OCCCBr
| PubChem CID | 12308 |
|---|---|
| CAS | 627-18-9 |
| Molecular Weight (g/mol) | 138.99 |
| MDL Number | MFCD00002942 |
| SMILES | OCCCBr |
| Synonym | 3-bromo-1-propanol,trimethylene bromohydrin,1-propanol, 3-bromo,3-bromopropanol,3-hydroxypropyl bromide,1-bromo-3-propanol,3-bromo-propan-1-ol,ccris 5979,1-bromo-3-hydroxypropane,unii-3t4axh68fh |
| IUPAC Name | 3-bromopropan-1-ol |
| InChI Key | RQFUZUMFPRMVDX-UHFFFAOYSA-N |
| Molecular Formula | C3H7BrO |
Tetraethoxymethane 97.0+%, TCI America™
CAS: 78-09-1 Molecular Formula: C9H20O4 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00009221 InChI Key: CWLNAJYDRSIKJS-UHFFFAOYSA-N Synonym: tetraethyl orthocarbonate,tetraethoxymethane,triethoxymethoxy ethane,tetraethylorthocarbonate,ethane, 1,1',1,1'-methanetetrayltetrakis oxy tetrakis,orthocarbonic acid, tetraethyl ester,tetraethyi orthocarbonate,tetra ethyl orthocarbonate,1-triethoxymethoxy ethane PubChem CID: 66213 IUPAC Name: (triethoxymethoxy)ethane SMILES: CCOC(OCC)(OCC)OCC
| PubChem CID | 66213 |
|---|---|
| CAS | 78-09-1 |
| Molecular Weight (g/mol) | 192.26 |
| MDL Number | MFCD00009221 |
| SMILES | CCOC(OCC)(OCC)OCC |
| Synonym | tetraethyl orthocarbonate,tetraethoxymethane,triethoxymethoxy ethane,tetraethylorthocarbonate,ethane, 1,1',1,1'-methanetetrayltetrakis oxy tetrakis,orthocarbonic acid, tetraethyl ester,tetraethyi orthocarbonate,tetra ethyl orthocarbonate,1-triethoxymethoxy ethane |
| IUPAC Name | (triethoxymethoxy)ethane |
| InChI Key | CWLNAJYDRSIKJS-UHFFFAOYSA-N |
| Molecular Formula | C9H20O4 |
1,5,6,7-Tetrahydro-2-methyl-4H-indol-4-one 98.0+%, TCI America™
CAS: 35308-68-0 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD04972500 InChI Key: HJIYEKHYUGHTAC-UHFFFAOYSA-N Synonym: 2-Methyl-4-oxo-4,5,6,7-tetrahydroindole PubChem CID: 9815223 IUPAC Name: 2-methyl-4,5,6,7-tetrahydro-1H-indol-4-one SMILES: CC1=CC2=C(CCCC2=O)N1
| PubChem CID | 9815223 |
|---|---|
| CAS | 35308-68-0 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD04972500 |
| SMILES | CC1=CC2=C(CCCC2=O)N1 |
| Synonym | 2-Methyl-4-oxo-4,5,6,7-tetrahydroindole |
| IUPAC Name | 2-methyl-4,5,6,7-tetrahydro-1H-indol-4-one |
| InChI Key | HJIYEKHYUGHTAC-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
6-Methyl-4-chromanone 98.0+%, TCI America™
CAS: 39513-75-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00024071 InChI Key: RJHXEPLSJAVTFW-UHFFFAOYSA-N PubChem CID: 584354 IUPAC Name: 6-methyl-3,4-dihydro-2H-1-benzopyran-4-one SMILES: CC1=CC2=C(OCCC2=O)C=C1
| PubChem CID | 584354 |
|---|---|
| CAS | 39513-75-2 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00024071 |
| SMILES | CC1=CC2=C(OCCC2=O)C=C1 |
| IUPAC Name | 6-methyl-3,4-dihydro-2H-1-benzopyran-4-one |
| InChI Key | RJHXEPLSJAVTFW-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
Methyl 2,4-Dioxo-4-(2-thienyl)butyrate 98.0+%, TCI America™
CAS: 57409-51-5 Molecular Formula: C9H8O4S Molecular Weight (g/mol): 212.22 MDL Number: MFCD01249731 InChI Key: TZNHHDJRXUBHRB-ALCCZGGFSA-N Synonym: methyl 2,4-dioxo-4-thiophen-2-yl butanoate,2,4-dioxo-4-thiophen-2-yl-butyric acid methyl ester,methyl 2,4-dioxo-4-thien-2-ylbutanoate,methyl 2,4-dioxo-4-2-thienyl butanoate,methyl 2,4-dioxo-4-2-thienyl butyrate,methyl 2-thienoylpyruvate,methyl 4-2-thienyl-2,4-dioxobutanoate,methyl 2,4-dioxo-4-thien-2-yl butanoate,methyl2,4-dioxo-4-thiophen-2-yl butanoate,2-thiophenebutanoicacid, a,g-dioxo-, methyl ester PubChem CID: 2771673 IUPAC Name: methyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate SMILES: COC(=O)C(\O)=C\C(=O)C1=CC=CS1
| PubChem CID | 2771673 |
|---|---|
| CAS | 57409-51-5 |
| Molecular Weight (g/mol) | 212.22 |
| MDL Number | MFCD01249731 |
| SMILES | COC(=O)C(\O)=C\C(=O)C1=CC=CS1 |
| Synonym | methyl 2,4-dioxo-4-thiophen-2-yl butanoate,2,4-dioxo-4-thiophen-2-yl-butyric acid methyl ester,methyl 2,4-dioxo-4-thien-2-ylbutanoate,methyl 2,4-dioxo-4-2-thienyl butanoate,methyl 2,4-dioxo-4-2-thienyl butyrate,methyl 2-thienoylpyruvate,methyl 4-2-thienyl-2,4-dioxobutanoate,methyl 2,4-dioxo-4-thien-2-yl butanoate,methyl2,4-dioxo-4-thiophen-2-yl butanoate,2-thiophenebutanoicacid, a,g-dioxo-, methyl ester |
| IUPAC Name | methyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate |
| InChI Key | TZNHHDJRXUBHRB-ALCCZGGFSA-N |
| Molecular Formula | C9H8O4S |
2-Methoxyethyl Chloroformate 93.0+%, TCI America™
CAS: 628-12-6 Molecular Formula: C4H7ClO3 Molecular Weight (g/mol): 138.547 MDL Number: MFCD00058932 InChI Key: NDYYWMXJZWHRLZ-UHFFFAOYSA-N Synonym: 2-methoxyethyl chloroformate,chloroformic acid 2-methoxyethyl ester,2-methoxyethylchloroformate,chloro 2-methoxyethoxy methanone,carbonochloridic acid, 2-methoxyethyl ester,2-methoxyethylchlorocarbonat,pubchem12774,methoxyethyl chloroformate,acmc-1awq9,2-methoxy-ethyl chloroformate PubChem CID: 69400 IUPAC Name: 2-methoxyethyl carbonochloridate SMILES: COCCOC(=O)Cl
| PubChem CID | 69400 |
|---|---|
| CAS | 628-12-6 |
| Molecular Weight (g/mol) | 138.547 |
| MDL Number | MFCD00058932 |
| SMILES | COCCOC(=O)Cl |
| Synonym | 2-methoxyethyl chloroformate,chloroformic acid 2-methoxyethyl ester,2-methoxyethylchloroformate,chloro 2-methoxyethoxy methanone,carbonochloridic acid, 2-methoxyethyl ester,2-methoxyethylchlorocarbonat,pubchem12774,methoxyethyl chloroformate,acmc-1awq9,2-methoxy-ethyl chloroformate |
| IUPAC Name | 2-methoxyethyl carbonochloridate |
| InChI Key | NDYYWMXJZWHRLZ-UHFFFAOYSA-N |
| Molecular Formula | C4H7ClO3 |
5-Bromovanillin 95.0+%, TCI America™
CAS: 2973-76-4 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.05 MDL Number: MFCD00006940 InChI Key: KLSHZDPXXKAHIJ-UHFFFAOYSA-N Synonym: 5-bromovanillin,benzaldehyde, 3-bromo-4-hydroxy-5-methoxy,vanillin, 5-bromo,5-bromo-4-hydroxy-3-methoxybenzaldehyde,3-bromo-4-hydroxy-5-methoxy-benzaldehyde,unii-508wvs56pw,3-bromo-4-hydroxy-5-methyloxy benzaldehyde,5-bromovaniline,5-bromovanilline PubChem CID: 18099 IUPAC Name: 3-bromo-4-hydroxy-5-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(Br)=C1O
| PubChem CID | 18099 |
|---|---|
| CAS | 2973-76-4 |
| Molecular Weight (g/mol) | 231.05 |
| MDL Number | MFCD00006940 |
| SMILES | COC1=CC(C=O)=CC(Br)=C1O |
| Synonym | 5-bromovanillin,benzaldehyde, 3-bromo-4-hydroxy-5-methoxy,vanillin, 5-bromo,5-bromo-4-hydroxy-3-methoxybenzaldehyde,3-bromo-4-hydroxy-5-methoxy-benzaldehyde,unii-508wvs56pw,3-bromo-4-hydroxy-5-methyloxy benzaldehyde,5-bromovaniline,5-bromovanilline |
| IUPAC Name | 3-bromo-4-hydroxy-5-methoxybenzaldehyde |
| InChI Key | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |
2-Acetyl-1-ethylpyrrole 98.0+%, TCI America™
CAS: 39741-41-8 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00191234 InChI Key: HQADRFRTIALOCB-UHFFFAOYSA-N PubChem CID: 61988 IUPAC Name: 1-(1-ethylpyrrol-2-yl)ethanone SMILES: CCN1C=CC=C1C(=O)C
| PubChem CID | 61988 |
|---|---|
| CAS | 39741-41-8 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD00191234 |
| SMILES | CCN1C=CC=C1C(=O)C |
| IUPAC Name | 1-(1-ethylpyrrol-2-yl)ethanone |
| InChI Key | HQADRFRTIALOCB-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
1-(3-Hydroxypropyl)pyrrole 98.0+%, TCI America™
CAS: 50966-69-3 Molecular Formula: C7H11NO Molecular Weight (g/mol): 125.171 MDL Number: MFCD00191453 InChI Key: ORCXGLCMROHGOM-UHFFFAOYSA-N PubChem CID: 12794991 IUPAC Name: 3-pyrrol-1-ylpropan-1-ol SMILES: C1=CN(C=C1)CCCO
| PubChem CID | 12794991 |
|---|---|
| CAS | 50966-69-3 |
| Molecular Weight (g/mol) | 125.171 |
| MDL Number | MFCD00191453 |
| SMILES | C1=CN(C=C1)CCCO |
| IUPAC Name | 3-pyrrol-1-ylpropan-1-ol |
| InChI Key | ORCXGLCMROHGOM-UHFFFAOYSA-N |
| Molecular Formula | C7H11NO |