Organooxygen compounds
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N-(3-Acetyl-4-hydroxyphenyl)butyramide, 97%
CAS: 40188-45-2 Molecular Formula: C12H15NO3 Molecular Weight (g/mol): 221.26 MDL Number: MFCD00798556 InChI Key: FGWZEOPEZISTTR-UHFFFAOYSA-N Synonym: 2-acetyl-4-butyramidophenol,n-3-acetyl-4-hydroxyphenyl butanamide,n-3-acetyl-4-hydroxyphenyl butyramide,ac-hophe-oh,unii-14qjb65r4v,3'-acetyl-4'-hydroxybutyranilide,butanamide, n-3-acetyl-4-hydroxyphenyl,5'-butyramido-2'-hydroxyacetophenone,acebutolol impurity c,n-3-acetyl-4-hydroxyphenyl butanamid PubChem CID: 736331 IUPAC Name: N-(3-acetyl-4-hydroxyphenyl)butanamide SMILES: CCCC(=O)NC1=CC=C(O)C(=C1)C(C)=O
| PubChem CID | 736331 |
|---|---|
| CAS | 40188-45-2 |
| Molecular Weight (g/mol) | 221.26 |
| MDL Number | MFCD00798556 |
| SMILES | CCCC(=O)NC1=CC=C(O)C(=C1)C(C)=O |
| Synonym | 2-acetyl-4-butyramidophenol,n-3-acetyl-4-hydroxyphenyl butanamide,n-3-acetyl-4-hydroxyphenyl butyramide,ac-hophe-oh,unii-14qjb65r4v,3'-acetyl-4'-hydroxybutyranilide,butanamide, n-3-acetyl-4-hydroxyphenyl,5'-butyramido-2'-hydroxyacetophenone,acebutolol impurity c,n-3-acetyl-4-hydroxyphenyl butanamid |
| IUPAC Name | N-(3-acetyl-4-hydroxyphenyl)butanamide |
| InChI Key | FGWZEOPEZISTTR-UHFFFAOYSA-N |
| Molecular Formula | C12H15NO3 |
1-(1-Benzofuran-3-yl)-2-bromo-1-ethanone, 95+%, Thermo Scientific™
CAS: 187657-92-7 Molecular Formula: C10H7BrO2 Molecular Weight (g/mol): 239.07 MDL Number: MFCD03407369 InChI Key: WVHFTONHSRLBGL-UHFFFAOYSA-N Synonym: 1-benzofuran-3-yl-2-bromoethanone,1-1-benzofuran-3-yl-2-bromo-1-ethanone,1-1-benzofuran-3-yl-2-bromoethanone,1-benzofuran-3-yl-2-bromoethan-1-one,1-1-benzofuran-3-yl-2-bromoethan-1-one,ethanone,1-3-benzofuranyl-2-bromo,1-benzofuran-3-yl-2-bromo-1-ethanone,pubchem7014,3-2-bromoacetyl benzo b furan,1-benzofuran-3-yl-2-bromo-ethanone PubChem CID: 2776580 IUPAC Name: 1-(1-benzofuran-3-yl)-2-bromoethanone SMILES: BrCC(=O)C1=COC2=CC=CC=C12
| PubChem CID | 2776580 |
|---|---|
| CAS | 187657-92-7 |
| Molecular Weight (g/mol) | 239.07 |
| MDL Number | MFCD03407369 |
| SMILES | BrCC(=O)C1=COC2=CC=CC=C12 |
| Synonym | 1-benzofuran-3-yl-2-bromoethanone,1-1-benzofuran-3-yl-2-bromo-1-ethanone,1-1-benzofuran-3-yl-2-bromoethanone,1-benzofuran-3-yl-2-bromoethan-1-one,1-1-benzofuran-3-yl-2-bromoethan-1-one,ethanone,1-3-benzofuranyl-2-bromo,1-benzofuran-3-yl-2-bromo-1-ethanone,pubchem7014,3-2-bromoacetyl benzo b furan,1-benzofuran-3-yl-2-bromo-ethanone |
| IUPAC Name | 1-(1-benzofuran-3-yl)-2-bromoethanone |
| InChI Key | WVHFTONHSRLBGL-UHFFFAOYSA-N |
| Molecular Formula | C10H7BrO2 |
1-Benzothiophen-3-ylmethanol, 97%, Thermo Scientific™
CAS: 5381-24-8 Molecular Formula: C9H8OS Molecular Weight (g/mol): 164.22 MDL Number: MFCD02682007 InChI Key: UYGMKSKKGSUAHB-UHFFFAOYSA-N Synonym: benzo b thiophen-3-ylmethanol,benzo b thiophene-3-methanol,benzothien-3-ylmethanol,benzo,a thiophene-3-methanol,benzo b thiophen-3-yl methanol,1-benzothiophen-3-yl methanol,3-hydroxymethylbenzo b thiophene,benzo b thiophen-3-ylmethan-1-ol,3-hydroxymethyl benzo b thiophene PubChem CID: 2776342 SMILES: OCC1=CSC2=CC=CC=C12
| PubChem CID | 2776342 |
|---|---|
| CAS | 5381-24-8 |
| Molecular Weight (g/mol) | 164.22 |
| MDL Number | MFCD02682007 |
| SMILES | OCC1=CSC2=CC=CC=C12 |
| Synonym | benzo b thiophen-3-ylmethanol,benzo b thiophene-3-methanol,benzothien-3-ylmethanol,benzo,a thiophene-3-methanol,benzo b thiophen-3-yl methanol,1-benzothiophen-3-yl methanol,3-hydroxymethylbenzo b thiophene,benzo b thiophen-3-ylmethan-1-ol,3-hydroxymethyl benzo b thiophene |
| InChI Key | UYGMKSKKGSUAHB-UHFFFAOYSA-N |
| Molecular Formula | C9H8OS |
2-Phenylethanol, >99%, MP Biomedicals™
CAS: 60-12-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002886 InChI Key: WRMNZCZEMHIOCP-UHFFFAOYSA-N Synonym: phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol PubChem CID: 6054 ChEBI: CHEBI:49000 IUPAC Name: 2-phenylethan-1-ol SMILES: OCCC1=CC=CC=C1
| PubChem CID | 6054 |
|---|---|
| CAS | 60-12-8 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:49000 |
| MDL Number | MFCD00002886 |
| SMILES | OCCC1=CC=CC=C1 |
| Synonym | phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol |
| IUPAC Name | 2-phenylethan-1-ol |
| InChI Key | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
8-Bromo-1-octanol, 95%
CAS: 50816-19-8 Molecular Formula: C8H17BrO Molecular Weight (g/mol): 209.127 MDL Number: MFCD00010388 InChI Key: GMXIEASXPUEOTG-UHFFFAOYSA-N Synonym: 8-bromo-1-octanol,1-octanol, 8-bromo,8-bromooctanol,octamethylene bromohydrin,8-bromo octanol,1-bromooctan-8-ol,8-bromo-1-actanol,8-bromooctane-1-ol,1-bromo-octan-8-ol,8-bromo-octan-1-ol PubChem CID: 162607 IUPAC Name: 8-bromooctan-1-ol SMILES: C(CCCCBr)CCCO
| PubChem CID | 162607 |
|---|---|
| CAS | 50816-19-8 |
| Molecular Weight (g/mol) | 209.127 |
| MDL Number | MFCD00010388 |
| SMILES | C(CCCCBr)CCCO |
| Synonym | 8-bromo-1-octanol,1-octanol, 8-bromo,8-bromooctanol,octamethylene bromohydrin,8-bromo octanol,1-bromooctan-8-ol,8-bromo-1-actanol,8-bromooctane-1-ol,1-bromo-octan-8-ol,8-bromo-octan-1-ol |
| IUPAC Name | 8-bromooctan-1-ol |
| InChI Key | GMXIEASXPUEOTG-UHFFFAOYSA-N |
| Molecular Formula | C8H17BrO |
4-Acetylbenzoic acid, 98+%
CAS: 586-89-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002561 InChI Key: QBHDSQZASIBAAI-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid PubChem CID: 11470 IUPAC Name: 4-acetylbenzoic acid SMILES: CC(=O)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 11470 |
|---|---|
| CAS | 586-89-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00002561 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid |
| IUPAC Name | 4-acetylbenzoic acid |
| InChI Key | QBHDSQZASIBAAI-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
(S)-(-)-2-Phenyl-1-propanol, 98+%
CAS: 37778-99-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00145249 InChI Key: RNDNSYIPLPAXAZ-MRVPVSSYSA-N Synonym: s-2-phenylpropan-1-ol,s---2-phenyl-1-propanol,--2-phenylpropanol,s-2-phenyl-1-propanol,2s-2-phenylpropan-1-ol,unii-w7q89429zo,2 s-phenyl-1-propanol,--2-phenyl-1-propanol,--beta-methylbenzeneethanol PubChem CID: 447661 IUPAC Name: (2S)-2-phenylpropan-1-ol SMILES: CC(CO)C1=CC=CC=C1
| PubChem CID | 447661 |
|---|---|
| CAS | 37778-99-7 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00145249 |
| SMILES | CC(CO)C1=CC=CC=C1 |
| Synonym | s-2-phenylpropan-1-ol,s---2-phenyl-1-propanol,--2-phenylpropanol,s-2-phenyl-1-propanol,2s-2-phenylpropan-1-ol,unii-w7q89429zo,2 s-phenyl-1-propanol,--2-phenyl-1-propanol,--beta-methylbenzeneethanol |
| IUPAC Name | (2S)-2-phenylpropan-1-ol |
| InChI Key | RNDNSYIPLPAXAZ-MRVPVSSYSA-N |
| Molecular Formula | C9H12O |
4,5-Diazafluoren-9-one, 98%
CAS: 50890-67-0 Molecular Formula: C11H6N2O Molecular Weight (g/mol): 182.182 MDL Number: MFCD00046892 InChI Key: PFMTUGNLBQSHQC-UHFFFAOYSA-N Synonym: 4,5-diazafluoren-9-one,5h-cyclopenta 1,2-b:5,4-b' dipyridin-5-one,5h-cyclopenta 2,1-b:3,4-b' dipyridin-5-one,5h-pyrido 3',2':4,5 cyclopenta 1,2-b pyridin-5-one,pyridino 3',2'-1,2 cyclopenta 3,4-b pyridin-5-one,dafone,dafo,4,5-diazafluorenone-0,4,5-diaza-9h-fluoren-9-one PubChem CID: 342157 SMILES: C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1
| PubChem CID | 342157 |
|---|---|
| CAS | 50890-67-0 |
| Molecular Weight (g/mol) | 182.182 |
| MDL Number | MFCD00046892 |
| SMILES | C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1 |
| Synonym | 4,5-diazafluoren-9-one,5h-cyclopenta 1,2-b:5,4-b' dipyridin-5-one,5h-cyclopenta 2,1-b:3,4-b' dipyridin-5-one,5h-pyrido 3',2':4,5 cyclopenta 1,2-b pyridin-5-one,pyridino 3',2'-1,2 cyclopenta 3,4-b pyridin-5-one,dafone,dafo,4,5-diazafluorenone-0,4,5-diaza-9h-fluoren-9-one |
| InChI Key | PFMTUGNLBQSHQC-UHFFFAOYSA-N |
| Molecular Formula | C11H6N2O |
L-Ascorbic acid 6-palmitate, 99%
CAS: 137-66-6 Molecular Formula: C22H38O7 Molecular Weight (g/mol): 414.54 MDL Number: MFCD00005377 InChI Key: NULLRXHRYOXSEW-UHFFFAOYNA-N Synonym: ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf PubChem CID: 54680660 IUPAC Name: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O
| PubChem CID | 54680660 |
|---|---|
| CAS | 137-66-6 |
| Molecular Weight (g/mol) | 414.54 |
| MDL Number | MFCD00005377 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O |
| Synonym | ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf |
| IUPAC Name | [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate |
| InChI Key | NULLRXHRYOXSEW-UHFFFAOYNA-N |
| Molecular Formula | C22H38O7 |
3,4-diethoxycyclobut-3-ene-1,2-dione, Thermo Scientific™
CAS: 5231-87-8 Molecular Formula: C8H10O4 Molecular Weight (g/mol): 170.164 InChI Key: DFSFLZCLKYZYRD-UHFFFAOYSA-N Synonym: 3,4-diethoxy-3-cyclobutene-1,2-dione,diethyl squarate,squaric acid diethyl ester,3-cyclobutene-1,2-dione, 3,4-diethoxy,diethoxycyclobutenedione,diethoxycyclobut-3-ene-1,2-dione,1,2-diethoxycyclobutenedione,3,4-diethoxy-cyclobut-3-ene-1,2-dione,pubchem9741,acmc-209kyn PubChem CID: 123228 IUPAC Name: 3,4-diethoxycyclobut-3-ene-1,2-dione SMILES: CCOC1=C(C(=O)C1=O)OCC
| PubChem CID | 123228 |
|---|---|
| CAS | 5231-87-8 |
| Molecular Weight (g/mol) | 170.164 |
| SMILES | CCOC1=C(C(=O)C1=O)OCC |
| Synonym | 3,4-diethoxy-3-cyclobutene-1,2-dione,diethyl squarate,squaric acid diethyl ester,3-cyclobutene-1,2-dione, 3,4-diethoxy,diethoxycyclobutenedione,diethoxycyclobut-3-ene-1,2-dione,1,2-diethoxycyclobutenedione,3,4-diethoxy-cyclobut-3-ene-1,2-dione,pubchem9741,acmc-209kyn |
| IUPAC Name | 3,4-diethoxycyclobut-3-ene-1,2-dione |
| InChI Key | DFSFLZCLKYZYRD-UHFFFAOYSA-N |
| Molecular Formula | C8H10O4 |
1,1,3-Trimethoxypropane, 97%
CAS: 14315-97-0 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008490 InChI Key: FKZYYYDRLJCHGL-UHFFFAOYSA-N Synonym: propane, 1,1,3-trimethoxy,propane,1,1,3-trimethoxy,acmc-1brb6,1,1,3-trimethoxy-propane,1,1,3-trimethoxypropane,beta-methoxypropionaldehyde dimethyl acetal PubChem CID: 84348 IUPAC Name: 1,1,3-trimethoxypropane SMILES: COCCC(OC)OC
| PubChem CID | 84348 |
|---|---|
| CAS | 14315-97-0 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00008490 |
| SMILES | COCCC(OC)OC |
| Synonym | propane, 1,1,3-trimethoxy,propane,1,1,3-trimethoxy,acmc-1brb6,1,1,3-trimethoxy-propane,1,1,3-trimethoxypropane,beta-methoxypropionaldehyde dimethyl acetal |
| IUPAC Name | 1,1,3-trimethoxypropane |
| InChI Key | FKZYYYDRLJCHGL-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
(S)-(+)-1,2-Propanediol, 97%
CAS: 4254-15-3 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.10 MDL Number: MFCD00004539 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYNA-N Synonym: s-+-1,2-propanediol,s-propane-1,2-diol,s-1,2-propanediol,2s-propane-1,2-diol,s-propylene glycol,s-+-propylene glycol,s-+-1,2-dihydroxypropane,propylene glycol #,pgo PubChem CID: 439846 ChEBI: CHEBI:29002 SMILES: CC(O)CO
| PubChem CID | 439846 |
|---|---|
| CAS | 4254-15-3 |
| Molecular Weight (g/mol) | 76.10 |
| ChEBI | CHEBI:29002 |
| MDL Number | MFCD00004539 |
| SMILES | CC(O)CO |
| Synonym | s-+-1,2-propanediol,s-propane-1,2-diol,s-1,2-propanediol,2s-propane-1,2-diol,s-propylene glycol,s-+-propylene glycol,s-+-1,2-dihydroxypropane,propylene glycol #,pgo |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2 |
2-(Trimethylsilyl)ethoxymethyl chloride, 90%, tech., stabilized
CAS: 76513-69-4 Molecular Formula: C6H15ClOSi Molecular Weight (g/mol): 166.72 InChI Key: BPXKZEMBEZGUAH-UHFFFAOYSA-N Synonym: 2-trimethylsilyl ethoxymethyl chloride,2-chloromethoxy ethyl trimethylsilane,sem-chloride,2-trimethylsilyl ethoxymethylchloride,sem-cl,2-chloromethyl 2-trimethylsilyl ethyl ether,semcl,2-chloromethoxy ethyl-trimethylsilane,2-trimethysilyl-ethoxymethyl chloride PubChem CID: 2724271 IUPAC Name: 2-(chloromethoxy)ethyl-trimethylsilane SMILES: C[Si](C)(C)CCOCCl
| PubChem CID | 2724271 |
|---|---|
| CAS | 76513-69-4 |
| Molecular Weight (g/mol) | 166.72 |
| SMILES | C[Si](C)(C)CCOCCl |
| Synonym | 2-trimethylsilyl ethoxymethyl chloride,2-chloromethoxy ethyl trimethylsilane,sem-chloride,2-trimethylsilyl ethoxymethylchloride,sem-cl,2-chloromethyl 2-trimethylsilyl ethyl ether,semcl,2-chloromethoxy ethyl-trimethylsilane,2-trimethysilyl-ethoxymethyl chloride |
| IUPAC Name | 2-(chloromethoxy)ethyl-trimethylsilane |
| InChI Key | BPXKZEMBEZGUAH-UHFFFAOYSA-N |
| Molecular Formula | C6H15ClOSi |
Ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate, 97%
CAS: 571-55-1 Molecular Formula: C9H11F3O4 Molecular Weight (g/mol): 240.178 MDL Number: MFCD02677683 InChI Key: XNGGOXOLHQANRB-AATRIKPKSA-N Synonym: ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate,e-ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate,ethyl 2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2e-3-ethoxy-2-2,2,2-trifluoroacetyl prop-2-enoate,2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester PubChem CID: 6185754 IUPAC Name: ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC=C(C(=O)C(F)(F)F)C(=O)OCC
| PubChem CID | 6185754 |
|---|---|
| CAS | 571-55-1 |
| Molecular Weight (g/mol) | 240.178 |
| MDL Number | MFCD02677683 |
| SMILES | CCOC=C(C(=O)C(F)(F)F)C(=O)OCC |
| Synonym | ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate,e-ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate,ethyl 2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2e-3-ethoxy-2-2,2,2-trifluoroacetyl prop-2-enoate,2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester |
| IUPAC Name | ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate |
| InChI Key | XNGGOXOLHQANRB-AATRIKPKSA-N |
| Molecular Formula | C9H11F3O4 |