Organooxygen compounds
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6-(Bromomethyl)-3,4-dihydro-2H-1,5-benzodioxepine, 97%, Thermo Scientific™
CAS: 499770-96-6 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.10 MDL Number: MFCD05664399 InChI Key: QDRNTKFXSFDJCH-UHFFFAOYSA-N Synonym: 6-bromomethyl-3,4-dihydro-2h-1,5-benzodioxepine,2h-1,5-benzodioxepin, 6-bromomethyl-3,4-dihydro,6-bromomethyl-3,4-dihydro-1,5-benzodioxepin,6-bromomethyl-2h,3h,4h-benzo b 1,4-dioxepin PubChem CID: 2794992 IUPAC Name: 6-(bromomethyl)-3,4-dihydro-2H-1,5-benzodioxepine SMILES: BrCC1=C2OCCCOC2=CC=C1
| PubChem CID | 2794992 |
|---|---|
| CAS | 499770-96-6 |
| Molecular Weight (g/mol) | 243.10 |
| MDL Number | MFCD05664399 |
| SMILES | BrCC1=C2OCCCOC2=CC=C1 |
| Synonym | 6-bromomethyl-3,4-dihydro-2h-1,5-benzodioxepine,2h-1,5-benzodioxepin, 6-bromomethyl-3,4-dihydro,6-bromomethyl-3,4-dihydro-1,5-benzodioxepin,6-bromomethyl-2h,3h,4h-benzo b 1,4-dioxepin |
| IUPAC Name | 6-(bromomethyl)-3,4-dihydro-2H-1,5-benzodioxepine |
| InChI Key | QDRNTKFXSFDJCH-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO2 |
Ascorbyl Palmitate, NF, 95-100.5%, Spectrum™ Chemical
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CAS: 137-66-6 Molecular Formula: C22H38O7 Molecular Weight (g/mol): 414.54 MDL Number: MFCD00005377 InChI Key: NULLRXHRYOXSEW-UHFFFAOYNA-N IUPAC Name: 2-(4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O
| CAS | 137-66-6 |
|---|---|
| Molecular Weight (g/mol) | 414.54 |
| MDL Number | MFCD00005377 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O |
| IUPAC Name | 2-(4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate |
| InChI Key | NULLRXHRYOXSEW-UHFFFAOYNA-N |
| Molecular Formula | C22H38O7 |
4-Morpholinylsulfur trifluoride, 95%
CAS: 51010-74-3 Molecular Formula: C4H8F3NOS Molecular Weight (g/mol): 175.169 MDL Number: MFCD00037057 InChI Key: UFXIRMVZNARBDL-UHFFFAOYSA-N Synonym: morpholinosulfur trifluoride,morpholinosulfurtrifluoride,morph-dast,4-trifluoro-$l^ 4-sulfanyl morpholine,4-trifluoro-??-sulfanyl morpholine,morpholinosulphur trifluoride,morpho-dast,acmc-209krh,trifluoro morpholin-4-yl,morpholinotrifluorosulfur iv PubChem CID: 2733258 IUPAC Name: trifluoro(morpholin-4-yl)-$l^{4}-sulfane SMILES: C1COCCN1S(F)(F)F
| PubChem CID | 2733258 |
|---|---|
| CAS | 51010-74-3 |
| Molecular Weight (g/mol) | 175.169 |
| MDL Number | MFCD00037057 |
| SMILES | C1COCCN1S(F)(F)F |
| Synonym | morpholinosulfur trifluoride,morpholinosulfurtrifluoride,morph-dast,4-trifluoro-$l^ 4-sulfanyl morpholine,4-trifluoro-??-sulfanyl morpholine,morpholinosulphur trifluoride,morpho-dast,acmc-209krh,trifluoro morpholin-4-yl,morpholinotrifluorosulfur iv |
| IUPAC Name | trifluoro(morpholin-4-yl)-$l^{4}-sulfane |
| InChI Key | UFXIRMVZNARBDL-UHFFFAOYSA-N |
| Molecular Formula | C4H8F3NOS |
2-[Di(methylthio)methylidene]malononitrile, 97%, Thermo Scientific™
CAS: 5147-80-8 Molecular Formula: C6H6N2S2 Molecular Weight (g/mol): 170.248 MDL Number: MFCD00052730 InChI Key: FICQFRCPSFCFBY-UHFFFAOYSA-N Synonym: 2-bis methylthio methylene malononitrile,bis methylthio methylene malononitrile,2-di methylthio methylidene malononitrile,propanedinitrile, bis methylthio methylene,2-bis methylsulfanyl methylidene propanedinitrile,bis methylthio methylene propanedinitrile,3,3-bis methylthio-2-cyanoacrylonitrile,bis methylthio methylidene propanedinitrile PubChem CID: 99229 IUPAC Name: 2-[bis(methylsulfanyl)methylidene]propanedinitrile SMILES: CSC(=C(C#N)C#N)SC
| PubChem CID | 99229 |
|---|---|
| CAS | 5147-80-8 |
| Molecular Weight (g/mol) | 170.248 |
| MDL Number | MFCD00052730 |
| SMILES | CSC(=C(C#N)C#N)SC |
| Synonym | 2-bis methylthio methylene malononitrile,bis methylthio methylene malononitrile,2-di methylthio methylidene malononitrile,propanedinitrile, bis methylthio methylene,2-bis methylsulfanyl methylidene propanedinitrile,bis methylthio methylene propanedinitrile,3,3-bis methylthio-2-cyanoacrylonitrile,bis methylthio methylidene propanedinitrile |
| IUPAC Name | 2-[bis(methylsulfanyl)methylidene]propanedinitrile |
| InChI Key | FICQFRCPSFCFBY-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2S2 |
Chromane-2-carboxylic acid, 97+%, Thermo Scientific™
CAS: 51939-71-0 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00044719 InChI Key: SFLFCQJQOIZMHF-UHFFFAOYNA-N Synonym: chromane-2-carboxylic acid,chroman-2-carboxylic acid,3,4-dihydro-2h-1-benzopyran-2-carboxylic acid,2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro,2,3-dihydro-benzpyran-2-carboxylic acid,maybridge4_000177,2-carboxychroman,chroman carboxylic acid,pubchem14568,2-chroman-carboxylic acid PubChem CID: 2723665 IUPAC Name: 3,4-dihydro-2H-chromene-2-carboxylic acid SMILES: OC(=O)C1CCC2=CC=CC=C2O1
| PubChem CID | 2723665 |
|---|---|
| CAS | 51939-71-0 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00044719 |
| SMILES | OC(=O)C1CCC2=CC=CC=C2O1 |
| Synonym | chromane-2-carboxylic acid,chroman-2-carboxylic acid,3,4-dihydro-2h-1-benzopyran-2-carboxylic acid,2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro,2,3-dihydro-benzpyran-2-carboxylic acid,maybridge4_000177,2-carboxychroman,chroman carboxylic acid,pubchem14568,2-chroman-carboxylic acid |
| IUPAC Name | 3,4-dihydro-2H-chromene-2-carboxylic acid |
| InChI Key | SFLFCQJQOIZMHF-UHFFFAOYNA-N |
| Molecular Formula | C10H10O3 |
2-(2-Ethoxyethoxy)ethanol, Spectrum™ Chemical
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CAS: 111-90-0
| CAS | 111-90-0 |
|---|
iso-Propyl Ether, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 108-20-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.177 InChI Key: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N Synonym: diisopropyl ether,isopropyl ether,propane, 2,2'-oxybis,2-isopropoxypropane,diisopropyl oxide,diisopropylether,ether, isopropyl,2,2'-oxydipropane,isopropylether,bis isopropyl ether PubChem CID: 7914 IUPAC Name: 2-propan-2-yloxypropane SMILES: CC(C)OC(C)C
| PubChem CID | 7914 |
|---|---|
| CAS | 108-20-3 |
| Molecular Weight (g/mol) | 102.177 |
| SMILES | CC(C)OC(C)C |
| Synonym | diisopropyl ether,isopropyl ether,propane, 2,2'-oxybis,2-isopropoxypropane,diisopropyl oxide,diisopropylether,ether, isopropyl,2,2'-oxydipropane,isopropylether,bis isopropyl ether |
| IUPAC Name | 2-propan-2-yloxypropane |
| InChI Key | ZAFNJMIOTHYJRJ-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine, 97%, Thermo Scientific™
CAS: 147644-11-9 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00508291 InChI Key: AZCHNKNSOZJHSH-UHFFFAOYSA-N Synonym: 7-bromo-3,4-dihydro-2h-benzo b 1,4 dioxepine,2h-1,5-benzodioxepin, 7-bromo-3,4-dihydro,acmc-1c5pl,7-bromo-2h,3h,4h-benzo b 1,4-dioxepin,7-bromo-3,4-dihydro-2h-1,5-benzodioxepin,2h-1,5-benzodioxepin,7-bromo-3,4-dihydro,7-bromo-3,4-dihydro-1,5-benzodioxepin PubChem CID: 2776394 IUPAC Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine SMILES: C1COC2=C(C=C(C=C2)Br)OC1
| PubChem CID | 2776394 |
|---|---|
| CAS | 147644-11-9 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00508291 |
| SMILES | C1COC2=C(C=C(C=C2)Br)OC1 |
| Synonym | 7-bromo-3,4-dihydro-2h-benzo b 1,4 dioxepine,2h-1,5-benzodioxepin, 7-bromo-3,4-dihydro,acmc-1c5pl,7-bromo-2h,3h,4h-benzo b 1,4-dioxepin,7-bromo-3,4-dihydro-2h-1,5-benzodioxepin,2h-1,5-benzodioxepin,7-bromo-3,4-dihydro,7-bromo-3,4-dihydro-1,5-benzodioxepin |
| IUPAC Name | 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine |
| InChI Key | AZCHNKNSOZJHSH-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
2-Acetyl-5-methylthiophene, 98%
CAS: 13679-74-8 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.20 MDL Number: MFCD00014529 InChI Key: YOSDTJYMDAEEAZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-methylthiophene,1-5-methylthiophen-2-yl ethanone,ketone, methyl 5-methyl-2-thienyl,1-5-methyl-2-thienyl ethan-1-one,2-methyl-5-acetylthiophene,ethanone, 1-5-methyl-2-thienyl,methylthienylcetone,1-5-methyl-2-thienyl ethanone,5-methyl-2-acetylthiophene,methyl 5-methyl-2-thienyl ketone PubChem CID: 83655 IUPAC Name: 1-(5-methylthiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(C)S1
| PubChem CID | 83655 |
|---|---|
| CAS | 13679-74-8 |
| Molecular Weight (g/mol) | 140.20 |
| MDL Number | MFCD00014529 |
| SMILES | CC(=O)C1=CC=C(C)S1 |
| Synonym | 2-acetyl-5-methylthiophene,1-5-methylthiophen-2-yl ethanone,ketone, methyl 5-methyl-2-thienyl,1-5-methyl-2-thienyl ethan-1-one,2-methyl-5-acetylthiophene,ethanone, 1-5-methyl-2-thienyl,methylthienylcetone,1-5-methyl-2-thienyl ethanone,5-methyl-2-acetylthiophene,methyl 5-methyl-2-thienyl ketone |
| IUPAC Name | 1-(5-methylthiophen-2-yl)ethanone |
| InChI Key | YOSDTJYMDAEEAZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8OS |
3',5'-Dihydroxyacetophenone, 96%
CAS: 51863-60-6 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002290 InChI Key: WQXWIKCZNIGMAP-UHFFFAOYSA-N Synonym: 3',5'-dihydroxyacetophenone,1-3,5-dihydroxyphenyl ethanone,3,5-dihydroxyacetophenone,5-acetylresorcinol,1-3,5-dihydroxyphenyl ethan-1-one,unii-kp7r433nnr,ethanone, 1-3,5-dihydroxyphenyl,kp7r433nnr,1-acetyl-3,5-dihydroxybenzene,1-3,5-dihydroxyphenyl-ethanone PubChem CID: 103993 IUPAC Name: 1-(3,5-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1)O)O
| PubChem CID | 103993 |
|---|---|
| CAS | 51863-60-6 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00002290 |
| SMILES | CC(=O)C1=CC(=CC(=C1)O)O |
| Synonym | 3',5'-dihydroxyacetophenone,1-3,5-dihydroxyphenyl ethanone,3,5-dihydroxyacetophenone,5-acetylresorcinol,1-3,5-dihydroxyphenyl ethan-1-one,unii-kp7r433nnr,ethanone, 1-3,5-dihydroxyphenyl,kp7r433nnr,1-acetyl-3,5-dihydroxybenzene,1-3,5-dihydroxyphenyl-ethanone |
| IUPAC Name | 1-(3,5-dihydroxyphenyl)ethanone |
| InChI Key | WQXWIKCZNIGMAP-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Ethyl 2-chloro-5-pyridylglyoxylate, 97%, Thermo Scientific Chemicals
CAS: 902837-55-2 Molecular Formula: C9H8ClNO3 Molecular Weight (g/mol): 213.617 MDL Number: MFCD07781188 InChI Key: HRFPVENOVYSKHE-UHFFFAOYSA-N Synonym: ethyl 6-chloro-3-pyridylglyoxylate,ethyl 2-6-chloropyridin-3-yl-2-oxoacetate,ethyl 2-chloro-5-pyridylglyoxylate,ethyl 6-chloropyridin-3-yl oxo acetate,ethyl6-chloro-3-pyridylglyoxylate,ethyl 6-chloro-3-pyridinyl oxoacetate,6-chloro-3-pyridylglyoxylic acid ethyl ester,ethyl 2-6-chloro 3-pyridyl-2-oxoacetate PubChem CID: 42553168 IUPAC Name: ethyl 2-(6-chloropyridin-3-yl)-2-oxoacetate SMILES: CCOC(=O)C(=O)C1=CN=C(C=C1)Cl
| PubChem CID | 42553168 |
|---|---|
| CAS | 902837-55-2 |
| Molecular Weight (g/mol) | 213.617 |
| MDL Number | MFCD07781188 |
| SMILES | CCOC(=O)C(=O)C1=CN=C(C=C1)Cl |
| Synonym | ethyl 6-chloro-3-pyridylglyoxylate,ethyl 2-6-chloropyridin-3-yl-2-oxoacetate,ethyl 2-chloro-5-pyridylglyoxylate,ethyl 6-chloropyridin-3-yl oxo acetate,ethyl6-chloro-3-pyridylglyoxylate,ethyl 6-chloro-3-pyridinyl oxoacetate,6-chloro-3-pyridylglyoxylic acid ethyl ester,ethyl 2-6-chloro 3-pyridyl-2-oxoacetate |
| IUPAC Name | ethyl 2-(6-chloropyridin-3-yl)-2-oxoacetate |
| InChI Key | HRFPVENOVYSKHE-UHFFFAOYSA-N |
| Molecular Formula | C9H8ClNO3 |
4'-Fluoro-2'-methoxyacetophenone, 97%
CAS: 51788-80-8 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00061143 InChI Key: YOXBPWVWNQROBJ-UHFFFAOYSA-N Synonym: 1-4-fluoro-2-methoxyphenyl ethanone,4-fluoro-2-methoxyacetophenone,4'-fluoro-2'-methoxyacetophenone,1-4-fluoro-2-methoxyphenyl ethan-1-one,2'-methoxy-4'-fluoroacetophenone,1-4-fluoro-2-methoxy-phenyl-ethanone,1-acetyl-4-fluoro-2-methoxybenzene,2-methoxy-4-fluoroacetophenone,4'-fluoro-2'-methoxyacetophenone,,pubchem13459 PubChem CID: 142887 IUPAC Name: 1-(4-fluoro-2-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)F)OC
| PubChem CID | 142887 |
|---|---|
| CAS | 51788-80-8 |
| Molecular Weight (g/mol) | 168.167 |
| MDL Number | MFCD00061143 |
| SMILES | CC(=O)C1=C(C=C(C=C1)F)OC |
| Synonym | 1-4-fluoro-2-methoxyphenyl ethanone,4-fluoro-2-methoxyacetophenone,4'-fluoro-2'-methoxyacetophenone,1-4-fluoro-2-methoxyphenyl ethan-1-one,2'-methoxy-4'-fluoroacetophenone,1-4-fluoro-2-methoxy-phenyl-ethanone,1-acetyl-4-fluoro-2-methoxybenzene,2-methoxy-4-fluoroacetophenone,4'-fluoro-2'-methoxyacetophenone,,pubchem13459 |
| IUPAC Name | 1-(4-fluoro-2-methoxyphenyl)ethanone |
| InChI Key | YOXBPWVWNQROBJ-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
4'-Acetoxyacetophenone, 99%
CAS: 13031-43-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017229 InChI Key: SMIOEQSLJNNKQF-UHFFFAOYSA-N Synonym: 4'-acetoxyacetophenone,p-acetoxyacetophenone,4-acetoxyacetophenone,p-acetylphenyl acetate,4-acetylphenyl acetate,unii-eo1xk390jf,ethanone, 1-4-acetyloxy phenyl,4-acetoxy acetophenone,4-acetoxy-acetophenone,eo1xk390jf PubChem CID: 83063 ChEBI: CHEBI:86558 IUPAC Name: (4-acetylphenyl) acetate SMILES: CC(=O)OC1=CC=C(C=C1)C(C)=O
| PubChem CID | 83063 |
|---|---|
| CAS | 13031-43-1 |
| Molecular Weight (g/mol) | 178.19 |
| ChEBI | CHEBI:86558 |
| MDL Number | MFCD00017229 |
| SMILES | CC(=O)OC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-acetoxyacetophenone,p-acetoxyacetophenone,4-acetoxyacetophenone,p-acetylphenyl acetate,4-acetylphenyl acetate,unii-eo1xk390jf,ethanone, 1-4-acetyloxy phenyl,4-acetoxy acetophenone,4-acetoxy-acetophenone,eo1xk390jf |
| IUPAC Name | (4-acetylphenyl) acetate |
| InChI Key | SMIOEQSLJNNKQF-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
3',5'-Dimethoxyacetophenone, 97%
CAS: 39151-19-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00008739 InChI Key: YJKHOUIVWKQRSL-UHFFFAOYSA-N Synonym: 3',5'-dimethoxyacetophenone,1-3,5-dimethoxyphenyl ethanone,3,5-dimethoxyacetophenone,1-3,5-dimethoxyphenyl ethan-1-one,ethanone, 1-3,5-dimethoxyphenyl,1-acetyl-3,5-dimethoxybenzene,acetophenone, 3',5'-dimethoxy-6ci,7ci,acmc-20anci,pubchem3391,opera_id_1889 PubChem CID: 95997 IUPAC Name: 1-(3,5-dimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1)C(C)=O
| PubChem CID | 95997 |
|---|---|
| CAS | 39151-19-4 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00008739 |
| SMILES | COC1=CC(=CC(OC)=C1)C(C)=O |
| Synonym | 3',5'-dimethoxyacetophenone,1-3,5-dimethoxyphenyl ethanone,3,5-dimethoxyacetophenone,1-3,5-dimethoxyphenyl ethan-1-one,ethanone, 1-3,5-dimethoxyphenyl,1-acetyl-3,5-dimethoxybenzene,acetophenone, 3',5'-dimethoxy-6ci,7ci,acmc-20anci,pubchem3391,opera_id_1889 |
| IUPAC Name | 1-(3,5-dimethoxyphenyl)ethanone |
| InChI Key | YJKHOUIVWKQRSL-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
3-(3-Methylphenyl)-3-oxopropanenitrile, 97%, Thermo Scientific™
CAS: 53882-81-8 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00067922 InChI Key: IVLKDYOTZMFMLO-UHFFFAOYSA-N Synonym: 3-methylbenzoylacetonitrile,3-3-methylphenyl-3-oxopropanenitrile,3-toluoylacetonitrile,m-toluoylacetonitrile,3-oxo-3-m-tolyl propanenitrile,3-oxo-3-m-tolylpropanenitrile,pubchem12073,maybridge1_004502,acmc-1alb6,3-m-tolyl-3-oxo-propanenitrile PubChem CID: 143105 IUPAC Name: 3-(3-methylphenyl)-3-oxopropanenitrile SMILES: CC1=CC=CC(=C1)C(=O)CC#N
| PubChem CID | 143105 |
|---|---|
| CAS | 53882-81-8 |
| Molecular Weight (g/mol) | 159.188 |
| MDL Number | MFCD00067922 |
| SMILES | CC1=CC=CC(=C1)C(=O)CC#N |
| Synonym | 3-methylbenzoylacetonitrile,3-3-methylphenyl-3-oxopropanenitrile,3-toluoylacetonitrile,m-toluoylacetonitrile,3-oxo-3-m-tolyl propanenitrile,3-oxo-3-m-tolylpropanenitrile,pubchem12073,maybridge1_004502,acmc-1alb6,3-m-tolyl-3-oxo-propanenitrile |
| IUPAC Name | 3-(3-methylphenyl)-3-oxopropanenitrile |
| InChI Key | IVLKDYOTZMFMLO-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |