Organooxygen compounds
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2-Bromo-1-(4-pentylphenyl)ethan-1-one, 95%, Thermo Scientific™
CAS: 64328-68-3 Molecular Formula: C13H17BrO Molecular Weight (g/mol): 269.182 MDL Number: MFCD00218837 InChI Key: AVYNDJWQMUOSJZ-UHFFFAOYSA-N Synonym: 2-bromo-1-4-pentylphenyl ethan-1-one,2-bromo-1-4-pentylphenyl ethanone,2-bromo-4'-pent-1-yl acetophenone,ethanone,2-bromo-1-4-pentylphenyl,2-bromo-1-4-pent-1-yl phenyl ethan-1-one PubChem CID: 2775670 IUPAC Name: 2-bromo-1-(4-pentylphenyl)ethanone SMILES: CCCCCC1=CC=C(C=C1)C(=O)CBr
| PubChem CID | 2775670 |
|---|---|
| CAS | 64328-68-3 |
| Molecular Weight (g/mol) | 269.182 |
| MDL Number | MFCD00218837 |
| SMILES | CCCCCC1=CC=C(C=C1)C(=O)CBr |
| Synonym | 2-bromo-1-4-pentylphenyl ethan-1-one,2-bromo-1-4-pentylphenyl ethanone,2-bromo-4'-pent-1-yl acetophenone,ethanone,2-bromo-1-4-pentylphenyl,2-bromo-1-4-pent-1-yl phenyl ethan-1-one |
| IUPAC Name | 2-bromo-1-(4-pentylphenyl)ethanone |
| InChI Key | AVYNDJWQMUOSJZ-UHFFFAOYSA-N |
| Molecular Formula | C13H17BrO |
1-Eicosanol, 96%
CAS: 629-96-9 Molecular Formula: C20H42O Molecular Weight (g/mol): 298.56 MDL Number: MFCD00002938 InChI Key: BTFJIXJJCSYFAL-UHFFFAOYSA-N Synonym: 1-eicosanol,arachidyl alcohol,n-eicosanol,arachidic alcohol,arachic alcohol,eicosyl alcohol,eicosan-1-ol,eicosanol,1-icosanol,n-1-eicosanol PubChem CID: 12404 ChEBI: CHEBI:75627 IUPAC Name: icosan-1-ol SMILES: CCCCCCCCCCCCCCCCCCCCO
| PubChem CID | 12404 |
|---|---|
| CAS | 629-96-9 |
| Molecular Weight (g/mol) | 298.56 |
| ChEBI | CHEBI:75627 |
| MDL Number | MFCD00002938 |
| SMILES | CCCCCCCCCCCCCCCCCCCCO |
| Synonym | 1-eicosanol,arachidyl alcohol,n-eicosanol,arachidic alcohol,arachic alcohol,eicosyl alcohol,eicosan-1-ol,eicosanol,1-icosanol,n-1-eicosanol |
| IUPAC Name | icosan-1-ol |
| InChI Key | BTFJIXJJCSYFAL-UHFFFAOYSA-N |
| Molecular Formula | C20H42O |
2-Hydroxy-6-methoxybenzaldehyde, 98+%
CAS: 700-44-7 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00151830 InChI Key: DZJPDDVDKXHRLF-UHFFFAOYSA-N PubChem CID: 69692 IUPAC Name: 2-hydroxy-6-methoxybenzaldehyde SMILES: COC1=CC=CC(=C1C=O)O
| PubChem CID | 69692 |
|---|---|
| CAS | 700-44-7 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00151830 |
| SMILES | COC1=CC=CC(=C1C=O)O |
| IUPAC Name | 2-hydroxy-6-methoxybenzaldehyde |
| InChI Key | DZJPDDVDKXHRLF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
2-(Boc-amino)pyridine-5-carboxaldehyde, 97%, Thermo Scientific Chemicals
CAS: 199296-40-7 Molecular Formula: C11H14N2O3 Molecular Weight (g/mol): 222.244 MDL Number: MFCD08064228 InChI Key: WZROBBWIJBBWQP-UHFFFAOYSA-N Synonym: tert-butyl 5-formylpyridin-2-yl carbamate,tert-butyl 5-formylpyridin-2-ylcarbamate,tert-butyl n-5-formylpyridin-2-yl carbamate,2-boc-amino pyridine-5-carboxaldehyde,5-formyl-pyridin-2-yl-carbamic acid tert-butyl ester,5-formylpyridin-2-yl carbamic acid tert butyl ester,2-boc-aminopyridine-5-aldehyde,2-tert-butoxycarbonylamino pyridine-5-carboxaldehyde,carbamicacid, n-5-formyl-2-pyridinyl-, 1,1-dimethylethyl ester,6-aminonicotinaldehyde, 6-boc protected PubChem CID: 22034247 IUPAC Name: tert-butyl N-(5-formylpyridin-2-yl)carbamate SMILES: CC(C)(C)OC(=O)NC1=NC=C(C=C1)C=O
| PubChem CID | 22034247 |
|---|---|
| CAS | 199296-40-7 |
| Molecular Weight (g/mol) | 222.244 |
| MDL Number | MFCD08064228 |
| SMILES | CC(C)(C)OC(=O)NC1=NC=C(C=C1)C=O |
| Synonym | tert-butyl 5-formylpyridin-2-yl carbamate,tert-butyl 5-formylpyridin-2-ylcarbamate,tert-butyl n-5-formylpyridin-2-yl carbamate,2-boc-amino pyridine-5-carboxaldehyde,5-formyl-pyridin-2-yl-carbamic acid tert-butyl ester,5-formylpyridin-2-yl carbamic acid tert butyl ester,2-boc-aminopyridine-5-aldehyde,2-tert-butoxycarbonylamino pyridine-5-carboxaldehyde,carbamicacid, n-5-formyl-2-pyridinyl-, 1,1-dimethylethyl ester,6-aminonicotinaldehyde, 6-boc protected |
| IUPAC Name | tert-butyl N-(5-formylpyridin-2-yl)carbamate |
| InChI Key | WZROBBWIJBBWQP-UHFFFAOYSA-N |
| Molecular Formula | C11H14N2O3 |
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 |
3-Chloro-6-methoxypyridazine, 97%
CAS: 1722-10-7 Molecular Formula: C5H5ClN2O Molecular Weight (g/mol): 144.56 MDL Number: MFCD00006467 InChI Key: XBJLKXOOHLLTPG-UHFFFAOYSA-N PubChem CID: 74403 IUPAC Name: 3-chloro-6-methoxypyridazine SMILES: COC1=CC=C(Cl)N=N1
| PubChem CID | 74403 |
|---|---|
| CAS | 1722-10-7 |
| Molecular Weight (g/mol) | 144.56 |
| MDL Number | MFCD00006467 |
| SMILES | COC1=CC=C(Cl)N=N1 |
| IUPAC Name | 3-chloro-6-methoxypyridazine |
| InChI Key | XBJLKXOOHLLTPG-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClN2O |
Ethyl isobutyrylacetate, 94%
CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C
| PubChem CID | 81583 |
|---|---|
| CAS | 7152-15-0 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00009198 |
| SMILES | CCOC(=O)CC(=O)C(C)C |
| Synonym | ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate |
| IUPAC Name | ethyl 4-methyl-3-oxopentanoate |
| InChI Key | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
trans-2-Hexenal, 96%
CAS: 6728-26-3 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00007008 InChI Key: MBDOYVRWFFCFHM-SNAWJCMRSA-N Synonym: trans-2-hexenal,2-hexenal,leaf aldehyde,e-2-hexenal,e-hex-2-enal,2-trans-hexenal,beta-propyl acrolein,hexylenic aldehyde,hex-2-en-1-al,2-hexenal, e PubChem CID: 5281168 ChEBI: CHEBI:28913 IUPAC Name: (E)-hex-2-enal SMILES: CCCC=CC=O
| PubChem CID | 5281168 |
|---|---|
| CAS | 6728-26-3 |
| Molecular Weight (g/mol) | 98.145 |
| ChEBI | CHEBI:28913 |
| MDL Number | MFCD00007008 |
| SMILES | CCCC=CC=O |
| Synonym | trans-2-hexenal,2-hexenal,leaf aldehyde,e-2-hexenal,e-hex-2-enal,2-trans-hexenal,beta-propyl acrolein,hexylenic aldehyde,hex-2-en-1-al,2-hexenal, e |
| IUPAC Name | (E)-hex-2-enal |
| InChI Key | MBDOYVRWFFCFHM-SNAWJCMRSA-N |
| Molecular Formula | C6H10O |
Cyclohexyl phenyl ketone, 98%
CAS: 712-50-5 Molecular Formula: C13H16O Molecular Weight (g/mol): 188.27 MDL Number: MFCD00001467 InChI Key: BMFYCFSWWDXEPB-UHFFFAOYSA-N Synonym: cyclohexyl phenyl ketone,cyclohexyl phenyl methanone,benzoylcyclohexane,cyclohexylphenylketone,benzoyl cyclohexane,phenyl cyclohexyl ketone,methanone, cyclohexylphenyl,cyclohexyl-phenyl-methanone,usaf kf-3,cyclohexylphenyl ketone PubChem CID: 12837 IUPAC Name: cyclohexyl(phenyl)methanone SMILES: C1CCC(CC1)C(=O)C2=CC=CC=C2
| PubChem CID | 12837 |
|---|---|
| CAS | 712-50-5 |
| Molecular Weight (g/mol) | 188.27 |
| MDL Number | MFCD00001467 |
| SMILES | C1CCC(CC1)C(=O)C2=CC=CC=C2 |
| Synonym | cyclohexyl phenyl ketone,cyclohexyl phenyl methanone,benzoylcyclohexane,cyclohexylphenylketone,benzoyl cyclohexane,phenyl cyclohexyl ketone,methanone, cyclohexylphenyl,cyclohexyl-phenyl-methanone,usaf kf-3,cyclohexylphenyl ketone |
| IUPAC Name | cyclohexyl(phenyl)methanone |
| InChI Key | BMFYCFSWWDXEPB-UHFFFAOYSA-N |
| Molecular Formula | C13H16O |
Glyceryl Monostearate, Flake, Spectrum™ Chemical
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CAS: 31566-31-1 Molecular Formula: C21H42O4 Molecular Weight (g/mol): 358.56 InChI Key: VBICKXHEKHSIBG-UHFFFAOYNA-N IUPAC Name: 2,3-dihydroxypropyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
| CAS | 31566-31-1 |
|---|---|
| Molecular Weight (g/mol) | 358.56 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO |
| IUPAC Name | 2,3-dihydroxypropyl octadecanoate |
| InChI Key | VBICKXHEKHSIBG-UHFFFAOYNA-N |
| Molecular Formula | C21H42O4 |
Shikimic Acid, MP Biomedicals™
CAS: 138-59-0 Molecular Formula: C7H9O5- Molecular Weight (g/mol): 173.144 InChI Key: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonym: shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid PubChem CID: 7057976 ChEBI: CHEBI:36208 IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O
| PubChem CID | 7057976 |
|---|---|
| CAS | 138-59-0 |
| Molecular Weight (g/mol) | 173.144 |
| ChEBI | CHEBI:36208 |
| SMILES | C1C(C(C(C=C1C(=O)[O-])O)O)O |
| Synonym | shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid |
| IUPAC Name | (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate |
| InChI Key | JXOHGGNKMLTUBP-HSUXUTPPSA-M |
| Molecular Formula | C7H9O5- |
2-Bromo-1-(4-morpholinophenyl)-1-ethanone, 97%, Thermo Scientific™
CAS: 210832-85-2 Molecular Formula: C12H14BrNO2 Molecular Weight (g/mol): 284.15 MDL Number: MFCD03783555 InChI Key: OUGMZFJPRSTGMJ-UHFFFAOYSA-N Synonym: 2-bromo-1-4-morpholinophenyl-1-ethanone,2-bromo-1-4-morpholinophenyl ethanone,2-bromo-1-4-morpholin-4-ylphenyl ethanone,2-bromo-1-4-4-morpholinyl phenyl ethanone,2-bromo-1-4-morpholin-4-yl-phenyl ethanone,2-bromo-1-4-morpholin-4-yl phenyl ethanone,2-bromo-1-4-morpholin-4-ylphenyl ethan-1-one,pubchem23338,acmc-1cqxm,alpha-bromo-4'-morpholinoacetophenone PubChem CID: 2795357 SMILES: BrCC(=O)C1=CC=C(C=C1)N1CCOCC1
| PubChem CID | 2795357 |
|---|---|
| CAS | 210832-85-2 |
| Molecular Weight (g/mol) | 284.15 |
| MDL Number | MFCD03783555 |
| SMILES | BrCC(=O)C1=CC=C(C=C1)N1CCOCC1 |
| Synonym | 2-bromo-1-4-morpholinophenyl-1-ethanone,2-bromo-1-4-morpholinophenyl ethanone,2-bromo-1-4-morpholin-4-ylphenyl ethanone,2-bromo-1-4-4-morpholinyl phenyl ethanone,2-bromo-1-4-morpholin-4-yl-phenyl ethanone,2-bromo-1-4-morpholin-4-yl phenyl ethanone,2-bromo-1-4-morpholin-4-ylphenyl ethan-1-one,pubchem23338,acmc-1cqxm,alpha-bromo-4'-morpholinoacetophenone |
| InChI Key | OUGMZFJPRSTGMJ-UHFFFAOYSA-N |
| Molecular Formula | C12H14BrNO2 |
Ethyl diethoxyacetate, 97+%
CAS: 6065-82-3 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.212 MDL Number: MFCD00009231 InChI Key: XCLBIKIQSCTANZ-UHFFFAOYSA-N Synonym: ethyl diethoxyacetate,acetic acid, diethoxy-, ethyl ester,diethoxyacetic acid ethyl ester,ethyldiethoxyacetate,acetic acid, 2,2-diethoxy-, ethyl ester,acetic acid,diethoxy,ethyl ester,acmc-209mlb,ethyl bis ethyloxy acetate,ethyl glyoxylate diethyl acetal PubChem CID: 80169 IUPAC Name: ethyl 2,2-diethoxyacetate SMILES: CCOC(C(=O)OCC)OCC
| PubChem CID | 80169 |
|---|---|
| CAS | 6065-82-3 |
| Molecular Weight (g/mol) | 176.212 |
| MDL Number | MFCD00009231 |
| SMILES | CCOC(C(=O)OCC)OCC |
| Synonym | ethyl diethoxyacetate,acetic acid, diethoxy-, ethyl ester,diethoxyacetic acid ethyl ester,ethyldiethoxyacetate,acetic acid, 2,2-diethoxy-, ethyl ester,acetic acid,diethoxy,ethyl ester,acmc-209mlb,ethyl bis ethyloxy acetate,ethyl glyoxylate diethyl acetal |
| IUPAC Name | ethyl 2,2-diethoxyacetate |
| InChI Key | XCLBIKIQSCTANZ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O4 |
Fructose, Granular, USP, 98-102%, Spectrum™ Chemical
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CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO
| CAS | 57-48-7 |
|---|---|
| Molecular Weight (g/mol) | 180.16 |
| SMILES | OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO |
| IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| Molecular Formula | C6H12O6 |
3-Hydroxy-3-methyl-2-butanone, 90+%
CAS: 115-22-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00004460 InChI Key: BNDRWEVUODOUDW-UHFFFAOYSA-N Synonym: 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone PubChem CID: 8261 IUPAC Name: 3-hydroxy-3-methylbutan-2-one SMILES: CC(=O)C(C)(C)O
| PubChem CID | 8261 |
|---|---|
| CAS | 115-22-0 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00004460 |
| SMILES | CC(=O)C(C)(C)O |
| Synonym | 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone |
| IUPAC Name | 3-hydroxy-3-methylbutan-2-one |
| InChI Key | BNDRWEVUODOUDW-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |