Organooxygen compounds
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1-Methyl-5-phenyl-1H-pyrazole-4-carbaldehyde, Thermo Scientific™
CAS: 154927-01-2 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 InChI Key: DLMVCAXLQMJYHP-UHFFFAOYSA-N Synonym: 1-methyl-5-phenyl-1h-pyrazole-4-carbaldehyde,1-methyl-5-phenyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde,1-methyl-5-phenyl PubChem CID: 2795475 IUPAC Name: 1-methyl-5-phenylpyrazole-4-carbaldehyde SMILES: CN1C(=C(C=N1)C=O)C2=CC=CC=C2
| PubChem CID | 2795475 |
|---|---|
| CAS | 154927-01-2 |
| Molecular Weight (g/mol) | 186.214 |
| SMILES | CN1C(=C(C=N1)C=O)C2=CC=CC=C2 |
| Synonym | 1-methyl-5-phenyl-1h-pyrazole-4-carbaldehyde,1-methyl-5-phenyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde,1-methyl-5-phenyl |
| IUPAC Name | 1-methyl-5-phenylpyrazole-4-carbaldehyde |
| InChI Key | DLMVCAXLQMJYHP-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
Benzyl chloromethyl ether, 75%
CAS: 3587-60-8 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00000886 InChI Key: LADPCMZCENPFGV-UHFFFAOYSA-N Synonym: benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl PubChem CID: 137983 IUPAC Name: chloromethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCCl
| PubChem CID | 137983 |
|---|---|
| CAS | 3587-60-8 |
| Molecular Weight (g/mol) | 156.61 |
| MDL Number | MFCD00000886 |
| SMILES | C1=CC=C(C=C1)COCCl |
| Synonym | benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl |
| IUPAC Name | chloromethoxymethylbenzene |
| InChI Key | LADPCMZCENPFGV-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
Glycolaldehyde dimethyl acetal, 98%, stab. with ca 0.1% sodium carbonate
CAS: 30934-97-5 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.12 MDL Number: MFCD00051799 InChI Key: NYPNCQTUZYWFGG-UHFFFAOYSA-N Synonym: glycolaldehyde dimethyl acetal,ethanol, 2,2-dimethoxy,unii-u5use33y47,2,2-dimethoxy-ethanol,2,2-dimethoxy ethanol,glycolaldehydedimethylacetal,acmc-20aksv,2,2-dimethoxyethan-1-ol,hydroxyacetaldehyde dimethylacetal,2-hydroxyacetaldehyde dimethyl acetal PubChem CID: 542381 IUPAC Name: 2,2-dimethoxyethanol SMILES: COC(CO)OC
| PubChem CID | 542381 |
|---|---|
| CAS | 30934-97-5 |
| Molecular Weight (g/mol) | 106.12 |
| MDL Number | MFCD00051799 |
| SMILES | COC(CO)OC |
| Synonym | glycolaldehyde dimethyl acetal,ethanol, 2,2-dimethoxy,unii-u5use33y47,2,2-dimethoxy-ethanol,2,2-dimethoxy ethanol,glycolaldehydedimethylacetal,acmc-20aksv,2,2-dimethoxyethan-1-ol,hydroxyacetaldehyde dimethylacetal,2-hydroxyacetaldehyde dimethyl acetal |
| IUPAC Name | 2,2-dimethoxyethanol |
| InChI Key | NYPNCQTUZYWFGG-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3 |
Ethyl propionylacetate, 95%
CAS: 4949-44-4 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC
| PubChem CID | 78656 |
|---|---|
| CAS | 4949-44-4 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009317 |
| SMILES | CCC(=O)CC(=O)OCC |
| Synonym | ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate |
| IUPAC Name | ethyl 3-oxopentanoate |
| InChI Key | UDRCONFHWYGWFI-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Benzyl chloromethyl ether, tech. 70%
CAS: 3587-60-8 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00000886 InChI Key: LADPCMZCENPFGV-UHFFFAOYSA-N Synonym: benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl PubChem CID: 137983 IUPAC Name: chloromethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCCl
| PubChem CID | 137983 |
|---|---|
| CAS | 3587-60-8 |
| Molecular Weight (g/mol) | 156.609 |
| MDL Number | MFCD00000886 |
| SMILES | C1=CC=C(C=C1)COCCl |
| Synonym | benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl |
| IUPAC Name | chloromethoxymethylbenzene |
| InChI Key | LADPCMZCENPFGV-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
(5-Bromo-1-benzofuran-2-yl)methanol, ≥97%, Thermo Scientific™
CAS: 38220-77-8 Molecular Formula: C9H7BrO2 Molecular Weight (g/mol): 227.06 MDL Number: MFCD06659073 InChI Key: JYYWIDBNICYLBN-UHFFFAOYSA-N Synonym: 5-bromo-1-benzofuran-2-yl methanol,5-bromobenzofuran-2-yl methanol,5-bromobenzo d furan-2-yl methan-1-ol,5-bromo-2-benzofuranylmethanol,5-bromo-2-benzofuranyl methanol,5-bromo-benzofuran-2-yl-methanol,5-bromo-2-hydroxymethyl-1-benzofuran,5-bromo-1-benzo b furan-2-yl methanol PubChem CID: 2795537 IUPAC Name: (5-bromo-1-benzofuran-2-yl)methanol SMILES: OCC1=CC2=CC(Br)=CC=C2O1
| PubChem CID | 2795537 |
|---|---|
| CAS | 38220-77-8 |
| Molecular Weight (g/mol) | 227.06 |
| MDL Number | MFCD06659073 |
| SMILES | OCC1=CC2=CC(Br)=CC=C2O1 |
| Synonym | 5-bromo-1-benzofuran-2-yl methanol,5-bromobenzofuran-2-yl methanol,5-bromobenzo d furan-2-yl methan-1-ol,5-bromo-2-benzofuranylmethanol,5-bromo-2-benzofuranyl methanol,5-bromo-benzofuran-2-yl-methanol,5-bromo-2-hydroxymethyl-1-benzofuran,5-bromo-1-benzo b furan-2-yl methanol |
| IUPAC Name | (5-bromo-1-benzofuran-2-yl)methanol |
| InChI Key | JYYWIDBNICYLBN-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO2 |
5-Bromobenzo[b]furan-2-carbaldehyde, 97%, Thermo Scientific™
CAS: 23145-16-6 Molecular Formula: C9H5BrO2 Molecular Weight (g/mol): 225.041 InChI Key: UPEGFMDITWHVHV-UHFFFAOYSA-N Synonym: 5-bromobenzofuran-2-carbaldehyde,5-bromobenzo b furan-2-carbaldehyde,5-bromo-2-formylbenzofuran,5-bromo-2-benzofurancarboxaldehyde,5-bromo-1-benzofuran-2-carboxaldehyde,2-benzofurancarboxaldehyde,5-bromo,5-bromobenzo b furan-2-carboxaldehyde,pubchem10165,acmc-1cjl8,5-bromo-benzofuran-2-carbaldehyde PubChem CID: 2795535 IUPAC Name: 5-bromo-1-benzofuran-2-carbaldehyde SMILES: C1=CC2=C(C=C1Br)C=C(O2)C=O
| PubChem CID | 2795535 |
|---|---|
| CAS | 23145-16-6 |
| Molecular Weight (g/mol) | 225.041 |
| SMILES | C1=CC2=C(C=C1Br)C=C(O2)C=O |
| Synonym | 5-bromobenzofuran-2-carbaldehyde,5-bromobenzo b furan-2-carbaldehyde,5-bromo-2-formylbenzofuran,5-bromo-2-benzofurancarboxaldehyde,5-bromo-1-benzofuran-2-carboxaldehyde,2-benzofurancarboxaldehyde,5-bromo,5-bromobenzo b furan-2-carboxaldehyde,pubchem10165,acmc-1cjl8,5-bromo-benzofuran-2-carbaldehyde |
| IUPAC Name | 5-bromo-1-benzofuran-2-carbaldehyde |
| InChI Key | UPEGFMDITWHVHV-UHFFFAOYSA-N |
| Molecular Formula | C9H5BrO2 |
ethyle2-(5-bromo-2-thienyl)-2-oxoacetate, 97%, Thermo Scientific™
CAS: 22098-10-8 Molecular Formula: C8H7BrO3S Molecular Weight (g/mol): 263.105 MDL Number: MFCD00085056 InChI Key: PMBGHMBDWGNJJE-UHFFFAOYSA-N Synonym: ethyl 2-5-bromothiophen-2-yl-2-oxoacetate,ethyl 5-bromothien-2-yl glyoxylate,ethyl 2-5-bromo-2-thienyl-2-oxoacetate,ethyl 5-bromothiophene-2-glyoxylate,ethyl 5-bromo-2-thienyl glyoxylate,ethyl 2-5-bromothien-2-yl glyoxalate,ethyl 5-bromothiophen-2-yl oxo acetate,2-bromo-5-ethoxy oxo acetyl thiophene,5-bromothiophen-2-yl oxoacetic acid ethyl ester PubChem CID: 2736376 IUPAC Name: ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetate SMILES: CCOC(=O)C(=O)C1=CC=C(S1)Br
| PubChem CID | 2736376 |
|---|---|
| CAS | 22098-10-8 |
| Molecular Weight (g/mol) | 263.105 |
| MDL Number | MFCD00085056 |
| SMILES | CCOC(=O)C(=O)C1=CC=C(S1)Br |
| Synonym | ethyl 2-5-bromothiophen-2-yl-2-oxoacetate,ethyl 5-bromothien-2-yl glyoxylate,ethyl 2-5-bromo-2-thienyl-2-oxoacetate,ethyl 5-bromothiophene-2-glyoxylate,ethyl 5-bromo-2-thienyl glyoxylate,ethyl 2-5-bromothien-2-yl glyoxalate,ethyl 5-bromothiophen-2-yl oxo acetate,2-bromo-5-ethoxy oxo acetyl thiophene,5-bromothiophen-2-yl oxoacetic acid ethyl ester |
| IUPAC Name | ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetate |
| InChI Key | PMBGHMBDWGNJJE-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3S |
Entecavir monohydrate, 99%, Thermo Scientific Chemicals
CAS: 209216-23-9 Molecular Formula: C12H15N5O3·H20 Molecular Weight (g/mol): 295.29 InChI Key: YXPVEXCTPGULBZ-WQYNNSOESA-N Synonym: entecavir hydrate,entecavir monohydrate,baraclude tn,entecavir usan,entecavir hydrate jan,baraclude,9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl guanine monohydrate,entecavir inn,2-amino-9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylidenecyclopentyl-1,9-dihydro-6h-purin-6-one-water 1/1 PubChem CID: 16052026 ChEBI: CHEBI:59902 IUPAC Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one;hydrate SMILES: C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N.O
| PubChem CID | 16052026 |
|---|---|
| CAS | 209216-23-9 |
| Molecular Weight (g/mol) | 295.29 |
| ChEBI | CHEBI:59902 |
| SMILES | C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N.O |
| Synonym | entecavir hydrate,entecavir monohydrate,baraclude tn,entecavir usan,entecavir hydrate jan,baraclude,9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl guanine monohydrate,entecavir inn,2-amino-9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylidenecyclopentyl-1,9-dihydro-6h-purin-6-one-water 1/1 |
| IUPAC Name | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one;hydrate |
| InChI Key | YXPVEXCTPGULBZ-WQYNNSOESA-N |
| Molecular Formula | C12H15N5O3·H20 |
3-Aminopyridine-4-carboxaldehyde, 95%, Thermo Scientific Chemicals
CAS: 55279-29-3 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.13 MDL Number: MFCD06410684 InChI Key: NDEGFXFYOKVWAK-UHFFFAOYSA-N Synonym: 3-aminoisonicotinaldehyde,3-aminopyridine-4-carboxaldehyde,3-amino-pyridine-4-carbaldehyde,3-amino-4-pyridinecarboxaldehyde,3-amino-4-formylpyridine,3-amino-4-carboxaldehyde,4-pyridinecarboxaldehyde, 3-amino,acmc-1b1xn,3-amino-4-pyridine carboxaldehyde,4-pyridinecarboxaldehyde,3-amino PubChem CID: 2763001 IUPAC Name: 3-aminopyridine-4-carbaldehyde SMILES: NC1=CN=CC=C1C=O
| PubChem CID | 2763001 |
|---|---|
| CAS | 55279-29-3 |
| Molecular Weight (g/mol) | 122.13 |
| MDL Number | MFCD06410684 |
| SMILES | NC1=CN=CC=C1C=O |
| Synonym | 3-aminoisonicotinaldehyde,3-aminopyridine-4-carboxaldehyde,3-amino-pyridine-4-carbaldehyde,3-amino-4-pyridinecarboxaldehyde,3-amino-4-formylpyridine,3-amino-4-carboxaldehyde,4-pyridinecarboxaldehyde, 3-amino,acmc-1b1xn,3-amino-4-pyridine carboxaldehyde,4-pyridinecarboxaldehyde,3-amino |
| IUPAC Name | 3-aminopyridine-4-carbaldehyde |
| InChI Key | NDEGFXFYOKVWAK-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
N1-(3-acetyl-4-hydroxyphenyl)acetamide, Thermo Scientific™
CAS: 7298-67-1 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 InChI Key: DIQSYMRVTOVKQT-UHFFFAOYSA-N Synonym: n-3-acetyl-4-hydroxyphenyl acetamide,n1-3-acetyl-4-hydroxyphenyl acetamide,n-3-acetyl-4-hydroxy-phenyl acetamide,5'-acetamido-2'-hydroxyacetophenone,acetamide, n-3-acetyl-4-hydroxyphenyl,ksc380g7h,3'-acetyl-4'-hydroxyacetanilide,5-acetamido-2-hydroxyacetophenone,5-acetamido-2-hydroxy-acetophenone,n-3-acetyl-4-hydroxyphenyl-acetamide PubChem CID: 81720 IUPAC Name: N-(3-acetyl-4-hydroxyphenyl)acetamide SMILES: CC(=O)C1=C(C=CC(=C1)NC(=O)C)O
| PubChem CID | 81720 |
|---|---|
| CAS | 7298-67-1 |
| Molecular Weight (g/mol) | 193.202 |
| SMILES | CC(=O)C1=C(C=CC(=C1)NC(=O)C)O |
| Synonym | n-3-acetyl-4-hydroxyphenyl acetamide,n1-3-acetyl-4-hydroxyphenyl acetamide,n-3-acetyl-4-hydroxy-phenyl acetamide,5'-acetamido-2'-hydroxyacetophenone,acetamide, n-3-acetyl-4-hydroxyphenyl,ksc380g7h,3'-acetyl-4'-hydroxyacetanilide,5-acetamido-2-hydroxyacetophenone,5-acetamido-2-hydroxy-acetophenone,n-3-acetyl-4-hydroxyphenyl-acetamide |
| IUPAC Name | N-(3-acetyl-4-hydroxyphenyl)acetamide |
| InChI Key | DIQSYMRVTOVKQT-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
2-Bromo-1-(2-thienyl)-1-ethanone, Technical Grade, Thermo Scientific™
CAS: 10531-41-6 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.069 InChI Key: UHWNENCHFSDZQP-UHFFFAOYSA-N Synonym: 2-bromo-1-thiophen-2-yl ethanone,2-2-bromoacetyl thiophene,2-bromo-1-2-thienyl-1-ethanone,2-bromoacetyl thiophene,2-bromo-1-thiophen-2-yl-ethanone,2-bromo-1-2-thienyl ethanone,2-bromo-1-thiophen-2-yl ethan-1-one,ethanone, 2-bromo-1-2-thienyl,ethanone, 2-bromo-1-thienyl,2-bromo-1-2-thienyl ethan-1-one PubChem CID: 2776372 IUPAC Name: 2-bromo-1-thiophen-2-ylethanone SMILES: C1=CSC(=C1)C(=O)CBr
| PubChem CID | 2776372 |
|---|---|
| CAS | 10531-41-6 |
| Molecular Weight (g/mol) | 205.069 |
| SMILES | C1=CSC(=C1)C(=O)CBr |
| Synonym | 2-bromo-1-thiophen-2-yl ethanone,2-2-bromoacetyl thiophene,2-bromo-1-2-thienyl-1-ethanone,2-bromoacetyl thiophene,2-bromo-1-thiophen-2-yl-ethanone,2-bromo-1-2-thienyl ethanone,2-bromo-1-thiophen-2-yl ethan-1-one,ethanone, 2-bromo-1-2-thienyl,ethanone, 2-bromo-1-thienyl,2-bromo-1-2-thienyl ethan-1-one |
| IUPAC Name | 2-bromo-1-thiophen-2-ylethanone |
| InChI Key | UHWNENCHFSDZQP-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrOS |
Salicylaldehyde, 98%, Spectrum™ Chemical
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CAS: 90-02-8 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00003317 InChI Key: SMQUZDBALVYZAC-UHFFFAOYSA-N IUPAC Name: 2-hydroxybenzaldehyde SMILES: OC1=CC=CC=C1C=O
| CAS | 90-02-8 |
|---|---|
| Molecular Weight (g/mol) | 122.12 |
| MDL Number | MFCD00003317 |
| SMILES | OC1=CC=CC=C1C=O |
| IUPAC Name | 2-hydroxybenzaldehyde |
| InChI Key | SMQUZDBALVYZAC-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
2-Bromo-2',4'-dimethoxyacetophenone, 98%
CAS: 60965-26-6 Molecular Formula: C10H11BrO3 Molecular Weight (g/mol): 259.099 MDL Number: MFCD00000197 InChI Key: PKVBZABQCCQHLD-UHFFFAOYSA-N Synonym: 2-bromo-1-2,4-dimethoxyphenyl ethanone,2-bromo-2',4'-dimethoxyacetophenone,2,4-dimethoxyphenacyl bromide,2-bromo-1-2',4'-dimethoxyphenyl ethanone,2-bromo-1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethoxyphenyl,2-bromo-2',4'-dimethoxyacetopheneone,1-2,4-dimethoxyphenyl-2-bromoethan-1-one,pubchem13433,acmc-1ba4l PubChem CID: 98683 IUPAC Name: 2-bromo-1-(2,4-dimethoxyphenyl)ethanone SMILES: COC1=CC(=C(C=C1)C(=O)CBr)OC
| PubChem CID | 98683 |
|---|---|
| CAS | 60965-26-6 |
| Molecular Weight (g/mol) | 259.099 |
| MDL Number | MFCD00000197 |
| SMILES | COC1=CC(=C(C=C1)C(=O)CBr)OC |
| Synonym | 2-bromo-1-2,4-dimethoxyphenyl ethanone,2-bromo-2',4'-dimethoxyacetophenone,2,4-dimethoxyphenacyl bromide,2-bromo-1-2',4'-dimethoxyphenyl ethanone,2-bromo-1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethoxyphenyl,2-bromo-2',4'-dimethoxyacetopheneone,1-2,4-dimethoxyphenyl-2-bromoethan-1-one,pubchem13433,acmc-1ba4l |
| IUPAC Name | 2-bromo-1-(2,4-dimethoxyphenyl)ethanone |
| InChI Key | PKVBZABQCCQHLD-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO3 |