Organooxygen compounds
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Azaperone
CAS: 1649-18-9 Molecular Formula: C19H22FN3O Molecular Weight (g/mol): 327.40 MDL Number: MFCD00866692 InChI Key: XTKDAFGWCDAMPY-UHFFFAOYSA-N Synonym: azaperone,stresnil,fluoperidol,suicalm,azaperon,azeperone,eucalmyl,sedaperone vet,azaperona,azaperonum PubChem CID: 15443 IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one SMILES: FC1=CC=C(C=C1)C(=O)CCCN1CCN(CC1)C1=CC=CC=N1
| PubChem CID | 15443 |
|---|---|
| CAS | 1649-18-9 |
| Molecular Weight (g/mol) | 327.40 |
| MDL Number | MFCD00866692 |
| SMILES | FC1=CC=C(C=C1)C(=O)CCCN1CCN(CC1)C1=CC=CC=N1 |
| Synonym | azaperone,stresnil,fluoperidol,suicalm,azaperon,azeperone,eucalmyl,sedaperone vet,azaperona,azaperonum |
| IUPAC Name | 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one |
| InChI Key | XTKDAFGWCDAMPY-UHFFFAOYSA-N |
| Molecular Formula | C19H22FN3O |
4'-Chloro-3'-methylacetophenone, tech. 75%, remainder 3'-chloro-4'-methylacetophenone
CAS: 37074-39-8 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00045172 InChI Key: XOIGZLJCLDWTQH-UHFFFAOYSA-N Synonym: 1-4-chloro-3-methylphenyl ethanone,4'-chloro-3'-methylacetophenone,4-chloro-3-methylacetophenone,ethanone, 1-4-chloro-3-methylphenyl,1-4-chloro-3-methylphenyl ethan-1-one,4-chloro-3-methyl acetophenone,1-4-chloro-3-methyl-phenyl-ethanone,ksc577m5h,3-methyl-4-chloroacetophenone,2-methyl-4-acetyl-chlorbenzol PubChem CID: 592743 IUPAC Name: 1-(4-chloro-3-methylphenyl)ethanone SMILES: CC(=O)C1=CC(C)=C(Cl)C=C1
| PubChem CID | 592743 |
|---|---|
| CAS | 37074-39-8 |
| Molecular Weight (g/mol) | 168.62 |
| MDL Number | MFCD00045172 |
| SMILES | CC(=O)C1=CC(C)=C(Cl)C=C1 |
| Synonym | 1-4-chloro-3-methylphenyl ethanone,4'-chloro-3'-methylacetophenone,4-chloro-3-methylacetophenone,ethanone, 1-4-chloro-3-methylphenyl,1-4-chloro-3-methylphenyl ethan-1-one,4-chloro-3-methyl acetophenone,1-4-chloro-3-methyl-phenyl-ethanone,ksc577m5h,3-methyl-4-chloroacetophenone,2-methyl-4-acetyl-chlorbenzol |
| IUPAC Name | 1-(4-chloro-3-methylphenyl)ethanone |
| InChI Key | XOIGZLJCLDWTQH-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO |
Di(ethylene glycol) divinyl ether, 95%
CAS: 764-99-8 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.19 InChI Key: SAMJGBVVQUEMGC-UHFFFAOYSA-N Synonym: diethylene glycol divinyl ether,divinylcarbitol,dvedeg,dvedeg russian,ether, bis 2-vinyloxy ethyl,ethene, 1,1'-oxybis 2,1-ethanediyloxy bis,3,6,9-trioxaundeca-1,10-diene,unii-abm90y2g95,divinyl ether diethylenglykolu,bis 2-vinyloxy ethyl ether PubChem CID: 12998 IUPAC Name: 1-ethenoxy-2-(2-ethenoxyethoxy)ethane SMILES: C=COCCOCCOC=C
| PubChem CID | 12998 |
|---|---|
| CAS | 764-99-8 |
| Molecular Weight (g/mol) | 158.19 |
| SMILES | C=COCCOCCOC=C |
| Synonym | diethylene glycol divinyl ether,divinylcarbitol,dvedeg,dvedeg russian,ether, bis 2-vinyloxy ethyl,ethene, 1,1'-oxybis 2,1-ethanediyloxy bis,3,6,9-trioxaundeca-1,10-diene,unii-abm90y2g95,divinyl ether diethylenglykolu,bis 2-vinyloxy ethyl ether |
| IUPAC Name | 1-ethenoxy-2-(2-ethenoxyethoxy)ethane |
| InChI Key | SAMJGBVVQUEMGC-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
4-Iodo-2-methoxypyridine-3-carboxaldehyde, 95%, Thermo Scientific Chemicals
CAS: 158669-26-2 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.03 MDL Number: MFCD05662396 InChI Key: GNBKAOHTTIVAMT-UHFFFAOYSA-N Synonym: 4-iodo-2-methoxynicotinaldehyde,4-iodo-2-methoxypyridine-3-carboxaldehyde,3-formyl-4-iodo-2-methoxypyridine,4-iodo-2-methoxy-pyridine-3-carbaldehyde,3-pyridinecarboxaldehyde, 4-iodo-2-methoxy,2-methoxy-4-iodo-3-pyridinecarboxyaldehyde,pubchem19522,iodomethoxynicotinaldehyde,2-methoxy-4-iodopyridine-3-carbaldehyde,4-iodo-2-methoxy-3-pyridinecarboxaldehyde PubChem CID: 10038381 IUPAC Name: 4-iodo-2-methoxypyridine-3-carbaldehyde SMILES: COC1=NC=CC(I)=C1C=O
| PubChem CID | 10038381 |
|---|---|
| CAS | 158669-26-2 |
| Molecular Weight (g/mol) | 263.03 |
| MDL Number | MFCD05662396 |
| SMILES | COC1=NC=CC(I)=C1C=O |
| Synonym | 4-iodo-2-methoxynicotinaldehyde,4-iodo-2-methoxypyridine-3-carboxaldehyde,3-formyl-4-iodo-2-methoxypyridine,4-iodo-2-methoxy-pyridine-3-carbaldehyde,3-pyridinecarboxaldehyde, 4-iodo-2-methoxy,2-methoxy-4-iodo-3-pyridinecarboxyaldehyde,pubchem19522,iodomethoxynicotinaldehyde,2-methoxy-4-iodopyridine-3-carbaldehyde,4-iodo-2-methoxy-3-pyridinecarboxaldehyde |
| IUPAC Name | 4-iodo-2-methoxypyridine-3-carbaldehyde |
| InChI Key | GNBKAOHTTIVAMT-UHFFFAOYSA-N |
| Molecular Formula | C7H6INO2 |
3-Formyl-1H-indole-7-carboxylic acid, ≥95%, Thermo Scientific™
CAS: 317854-65-2 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00550642 InChI Key: HABYJDPNVBUDGD-UHFFFAOYSA-N Synonym: 7-carboxy-3-formyl-1h-indole,3-formylindole-7-carboxylic acid,1h-indole-7-carboxylicacid, 3-formyl,1h-indole-7-carboxylic acid, 3-formyl,3-formyl-indole-7-carboxylic acid,7-carboxy-1h-indole-3-carboxaldehyde PubChem CID: 2796697 IUPAC Name: 3-formyl-1H-indole-7-carboxylic acid SMILES: OC(=O)C1=C2NC=C(C=O)C2=CC=C1
| PubChem CID | 2796697 |
|---|---|
| CAS | 317854-65-2 |
| Molecular Weight (g/mol) | 189.17 |
| MDL Number | MFCD00550642 |
| SMILES | OC(=O)C1=C2NC=C(C=O)C2=CC=C1 |
| Synonym | 7-carboxy-3-formyl-1h-indole,3-formylindole-7-carboxylic acid,1h-indole-7-carboxylicacid, 3-formyl,1h-indole-7-carboxylic acid, 3-formyl,3-formyl-indole-7-carboxylic acid,7-carboxy-1h-indole-3-carboxaldehyde |
| IUPAC Name | 3-formyl-1H-indole-7-carboxylic acid |
| InChI Key | HABYJDPNVBUDGD-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO3 |
4'-Bromo-2,2,2-trifluoroacetophenone, 97%
CAS: 16184-89-7 Molecular Formula: C8H4BrF3O Molecular Weight (g/mol): 253.018 MDL Number: MFCD00191862 InChI Key: IHGSAQHSAGRWNI-UHFFFAOYSA-N Synonym: 4'-bromo-2,2,2-trifluoroacetophenone,1-4-bromophenyl-2,2,2-trifluoroethanone,1-4-bromophenyl-2,2,2-trifluoroethan-1-one,1-4-bromo-phenyl-2,2,2-trifluoro-ethanone,ethanone, 1-4-bromophenyl-2,2,2-trifluoro,1-4-bromophenyl-2,2,2-trifluoro-1-ethanone,intermediates-zcf02216,4-trifluoroacetylbromobenzene,4'-bromo-2,2,2-trifluoracetophenone,4'-bromo-2,2,2-trifluoroaceto-phenone PubChem CID: 603866 IUPAC Name: 1-(4-bromophenyl)-2,2,2-trifluoroethanone SMILES: C1=CC(=CC=C1C(=O)C(F)(F)F)Br
| PubChem CID | 603866 |
|---|---|
| CAS | 16184-89-7 |
| Molecular Weight (g/mol) | 253.018 |
| MDL Number | MFCD00191862 |
| SMILES | C1=CC(=CC=C1C(=O)C(F)(F)F)Br |
| Synonym | 4'-bromo-2,2,2-trifluoroacetophenone,1-4-bromophenyl-2,2,2-trifluoroethanone,1-4-bromophenyl-2,2,2-trifluoroethan-1-one,1-4-bromo-phenyl-2,2,2-trifluoro-ethanone,ethanone, 1-4-bromophenyl-2,2,2-trifluoro,1-4-bromophenyl-2,2,2-trifluoro-1-ethanone,intermediates-zcf02216,4-trifluoroacetylbromobenzene,4'-bromo-2,2,2-trifluoracetophenone,4'-bromo-2,2,2-trifluoroaceto-phenone |
| IUPAC Name | 1-(4-bromophenyl)-2,2,2-trifluoroethanone |
| InChI Key | IHGSAQHSAGRWNI-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrF3O |
1,4-Oxazepan-5-one, 97%
CAS: 10341-26-1 Molecular Formula: C5H9NO2 Molecular Weight (g/mol): 115.13 MDL Number: MFCD02683091 InChI Key: OXDIYMHNQAWSCL-UHFFFAOYSA-N Synonym: tetrahydro-1,4-oxazepin-5 2h-one,1,4-oxazepin-5 2h-one, tetrahydro,4-oxacaprolactam,acmc-1bsly,tetrahydro-1,4-oxazepin-5 4h-one,tetrahydro-2h-1,4-oxazepin-5-one PubChem CID: 7023020 IUPAC Name: 1,4-oxazepan-5-one SMILES: O=C1CCOCCN1
| PubChem CID | 7023020 |
|---|---|
| CAS | 10341-26-1 |
| Molecular Weight (g/mol) | 115.13 |
| MDL Number | MFCD02683091 |
| SMILES | O=C1CCOCCN1 |
| Synonym | tetrahydro-1,4-oxazepin-5 2h-one,1,4-oxazepin-5 2h-one, tetrahydro,4-oxacaprolactam,acmc-1bsly,tetrahydro-1,4-oxazepin-5 4h-one,tetrahydro-2h-1,4-oxazepin-5-one |
| IUPAC Name | 1,4-oxazepan-5-one |
| InChI Key | OXDIYMHNQAWSCL-UHFFFAOYSA-N |
| Molecular Formula | C5H9NO2 |
Ursodiol, USP, 98.5-101.5%, Spectrum™ Chemical
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CAS: 128-13-2 Molecular Formula: C24H40O4 Molecular Weight (g/mol): 392.58 MDL Number: MFCD00003680 InChI Key: RUDATBOHQWOJDD-UZVSRGJWSA-N IUPAC Name: (4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
| CAS | 128-13-2 |
|---|---|
| Molecular Weight (g/mol) | 392.58 |
| MDL Number | MFCD00003680 |
| SMILES | [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C |
| IUPAC Name | (4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid |
| InChI Key | RUDATBOHQWOJDD-UZVSRGJWSA-N |
| Molecular Formula | C24H40O4 |
tert-Butyl Alcohol, Reagent, 99%, Spectrum™ Chemical
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CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N IUPAC Name: 2-methylpropan-2-ol SMILES: CC(C)(C)O
| CAS | 75-65-0 |
|---|---|
| Molecular Weight (g/mol) | 74.12 |
| SMILES | CC(C)(C)O |
| IUPAC Name | 2-methylpropan-2-ol |
| InChI Key | DKGAVHZHDRPRBM-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
3,4-Di-n-butoxy-3-cyclobutene-1,2-dione, 97%
CAS: 2892-62-8 Molecular Formula: C12H18O4 Molecular Weight (g/mol): 226.27 MDL Number: MFCD00037150 InChI Key: XBRWELTXMQSEIN-UHFFFAOYSA-N Synonym: dibutyl squarate,3,4-dibutoxy-3-cyclobutene-1,2-dione,squaric acid dibutyl ester,sadbe,squaric acid dibutylester,3,4-di-n-butoxy-3-cyclobutene-1,2-dione,unii-4rto57vg65,1,2-dibutyl squarate,3-cyclobutene-1,2-dione, 3,4-dibutoxy,acmc-209h5p PubChem CID: 65108 ChEBI: CHEBI:53612 IUPAC Name: 3,4-dibutoxycyclobut-3-ene-1,2-dione SMILES: CCCCOC1=C(OCCCC)C(=O)C1=O
| PubChem CID | 65108 |
|---|---|
| CAS | 2892-62-8 |
| Molecular Weight (g/mol) | 226.27 |
| ChEBI | CHEBI:53612 |
| MDL Number | MFCD00037150 |
| SMILES | CCCCOC1=C(OCCCC)C(=O)C1=O |
| Synonym | dibutyl squarate,3,4-dibutoxy-3-cyclobutene-1,2-dione,squaric acid dibutyl ester,sadbe,squaric acid dibutylester,3,4-di-n-butoxy-3-cyclobutene-1,2-dione,unii-4rto57vg65,1,2-dibutyl squarate,3-cyclobutene-1,2-dione, 3,4-dibutoxy,acmc-209h5p |
| IUPAC Name | 3,4-dibutoxycyclobut-3-ene-1,2-dione |
| InChI Key | XBRWELTXMQSEIN-UHFFFAOYSA-N |
| Molecular Formula | C12H18O4 |
1,1,1-Trifluoro-2,4-pentanedione, 98%
CAS: 367-57-7 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.09 MDL Number: MFCD00000427 InChI Key: SHXHPUAKLCCLDV-UHFFFAOYSA-N Synonym: 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone PubChem CID: 73943 IUPAC Name: 1,1,1-trifluoropentane-2,4-dione SMILES: CC(=O)CC(=O)C(F)(F)F
| PubChem CID | 73943 |
|---|---|
| CAS | 367-57-7 |
| Molecular Weight (g/mol) | 154.09 |
| MDL Number | MFCD00000427 |
| SMILES | CC(=O)CC(=O)C(F)(F)F |
| Synonym | 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone |
| IUPAC Name | 1,1,1-trifluoropentane-2,4-dione |
| InChI Key | SHXHPUAKLCCLDV-UHFFFAOYSA-N |
| Molecular Formula | C5H5F3O2 |
Di(2-pyridyl) ketone, 98%
CAS: 19437-26-4 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.198 MDL Number: MFCD00006288 InChI Key: QPOWUYJWCJRLEE-UHFFFAOYSA-N Synonym: di-2-pyridyl ketone,di pyridin-2-yl methanone,bis 2-pyridyl ketone,2,2'-carbonyldipyridine,di 2-pyridyl ketone,methanone, di-2-pyridinyl,2,2'-dipyridyl ketone,2-pyridine-2-carbonyl pyridine,pyridyl ketone PubChem CID: 88065 IUPAC Name: dipyridin-2-ylmethanone SMILES: C1=CC=NC(=C1)C(=O)C2=CC=CC=N2
| PubChem CID | 88065 |
|---|---|
| CAS | 19437-26-4 |
| Molecular Weight (g/mol) | 184.198 |
| MDL Number | MFCD00006288 |
| SMILES | C1=CC=NC(=C1)C(=O)C2=CC=CC=N2 |
| Synonym | di-2-pyridyl ketone,di pyridin-2-yl methanone,bis 2-pyridyl ketone,2,2'-carbonyldipyridine,di 2-pyridyl ketone,methanone, di-2-pyridinyl,2,2'-dipyridyl ketone,2-pyridine-2-carbonyl pyridine,pyridyl ketone |
| IUPAC Name | dipyridin-2-ylmethanone |
| InChI Key | QPOWUYJWCJRLEE-UHFFFAOYSA-N |
| Molecular Formula | C11H8N2O |
12-Crown-4, 97%
CAS: 294-93-9 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 MDL Number: MFCD00005103 InChI Key: XQQZRZQVBFHBHL-UHFFFAOYSA-N PubChem CID: 9269 ChEBI: CHEBI:32399 IUPAC Name: 1,4,7,10-tetraoxacyclododecane SMILES: C1COCCOCCOCCO1
| PubChem CID | 9269 |
|---|---|
| CAS | 294-93-9 |
| Molecular Weight (g/mol) | 176.21 |
| ChEBI | CHEBI:32399 |
| MDL Number | MFCD00005103 |
| SMILES | C1COCCOCCOCCO1 |
| IUPAC Name | 1,4,7,10-tetraoxacyclododecane |
| InChI Key | XQQZRZQVBFHBHL-UHFFFAOYSA-N |
| Molecular Formula | C8H16O4 |
2-Bromo-2'-chloroacetophenone, 95%
CAS: 5000-66-8 Molecular Formula: C8H6BrClO Molecular Weight (g/mol): 233.49 MDL Number: MFCD00832993 InChI Key: WZWWEVCLPKAQTA-UHFFFAOYSA-N Synonym: 2-bromo-2'-chloroacetophenone,2-bromo-1-2-chlorophenyl ethanone,2-bromo-1-2-chlorophenyl ethan-1-one,2'-chlorophenacyl bromide,2-chlorophenacyl bromide,2'-chloro-2-bromoacetophenone,bromomethyl 2-chlorophenyl ketone,2-bromo-1-2-chlorophenyl-1-ethanone,zlchem 501,2-chlorophenacylbromide PubChem CID: 2735785 IUPAC Name: 2-bromo-1-(2-chlorophenyl)ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)Cl
| PubChem CID | 2735785 |
|---|---|
| CAS | 5000-66-8 |
| Molecular Weight (g/mol) | 233.49 |
| MDL Number | MFCD00832993 |
| SMILES | C1=CC=C(C(=C1)C(=O)CBr)Cl |
| Synonym | 2-bromo-2'-chloroacetophenone,2-bromo-1-2-chlorophenyl ethanone,2-bromo-1-2-chlorophenyl ethan-1-one,2'-chlorophenacyl bromide,2-chlorophenacyl bromide,2'-chloro-2-bromoacetophenone,bromomethyl 2-chlorophenyl ketone,2-bromo-1-2-chlorophenyl-1-ethanone,zlchem 501,2-chlorophenacylbromide |
| IUPAC Name | 2-bromo-1-(2-chlorophenyl)ethanone |
| InChI Key | WZWWEVCLPKAQTA-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO |
Pyruvic aldehyde dimethyl acetal, 97+%
CAS: 6342-56-9 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00008758 InChI Key: ULVSHNOGEVXRDR-UHFFFAOYSA-N Synonym: 1,1-dimethoxyacetone,pyruvic aldehyde dimethyl acetal,2-propanone, 1,1-dimethoxy,methylglyoxal dimethyl acetal,1,1-dimethoxy-2-propanone,dimethoxymethyl methyl ketone,pyruvaldehyde dimethyl acetal,1,1-dimethoxy acetone,dimethoxyacetone,pyruvaldehyde, 1-dimethyl acetal PubChem CID: 80650 IUPAC Name: 1,1-dimethoxypropan-2-one SMILES: CC(=O)C(OC)OC
| PubChem CID | 80650 |
|---|---|
| CAS | 6342-56-9 |
| Molecular Weight (g/mol) | 118.132 |
| MDL Number | MFCD00008758 |
| SMILES | CC(=O)C(OC)OC |
| Synonym | 1,1-dimethoxyacetone,pyruvic aldehyde dimethyl acetal,2-propanone, 1,1-dimethoxy,methylglyoxal dimethyl acetal,1,1-dimethoxy-2-propanone,dimethoxymethyl methyl ketone,pyruvaldehyde dimethyl acetal,1,1-dimethoxy acetone,dimethoxyacetone,pyruvaldehyde, 1-dimethyl acetal |
| IUPAC Name | 1,1-dimethoxypropan-2-one |
| InChI Key | ULVSHNOGEVXRDR-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |