Organooxygen compounds
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4-Acetylpyridine, 98%
CAS: 1122-54-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006433 InChI Key: WMQUKDQWMMOHSA-UHFFFAOYSA-N Synonym: 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 PubChem CID: 14282 IUPAC Name: 1-pyridin-4-ylethanone SMILES: CC(=O)C1=CC=NC=C1
| PubChem CID | 14282 |
|---|---|
| CAS | 1122-54-9 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006433 |
| SMILES | CC(=O)C1=CC=NC=C1 |
| Synonym | 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 |
| IUPAC Name | 1-pyridin-4-ylethanone |
| InChI Key | WMQUKDQWMMOHSA-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
1,2-Propanediol, 99%, extra pure
CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.09 MDL Number: MFCD00064272 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Synonym: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: propane-1,2-diol SMILES: CC(CO)O
| PubChem CID | 1030 |
|---|---|
| CAS | 57-55-6 |
| Molecular Weight (g/mol) | 76.09 |
| ChEBI | CHEBI:16997 |
| MDL Number | MFCD00064272 |
| SMILES | CC(CO)O |
| Synonym | 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost |
| IUPAC Name | propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
| MDL Number | MFCD00006991 |
|---|
6-chloropyridine-3-carboxaldehyde, 97%
CAS: 23100-12-1 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.56 MDL Number: MFCD03095223 InChI Key: AFWWKZCPPRPDQK-UHFFFAOYSA-N Synonym: 6-chloronicotinaldehyde,2-chloropyridine-5-carbaldehyde,2-chloropyridine-5-carboxaldehyde,6-chloropyridine-3-carboxaldehyde,2-chloro-5-formylpyridine,6-chloro-pyridine-3-carbaldehyde,6-chloro-3-pyridinecarboxaldehyde,2-chloro-5-pyridine carbaldehyde,6-chloro-pyridin-3-carbaldehyde,2-chloro-5-pyridinecarboxaldehyde PubChem CID: 2764053 IUPAC Name: 6-chloropyridine-3-carbaldehyde SMILES: C1=CC(=NC=C1C=O)Cl
| PubChem CID | 2764053 |
|---|---|
| CAS | 23100-12-1 |
| Molecular Weight (g/mol) | 141.56 |
| MDL Number | MFCD03095223 |
| SMILES | C1=CC(=NC=C1C=O)Cl |
| Synonym | 6-chloronicotinaldehyde,2-chloropyridine-5-carbaldehyde,2-chloropyridine-5-carboxaldehyde,6-chloropyridine-3-carboxaldehyde,2-chloro-5-formylpyridine,6-chloro-pyridine-3-carbaldehyde,6-chloro-3-pyridinecarboxaldehyde,2-chloro-5-pyridine carbaldehyde,6-chloro-pyridin-3-carbaldehyde,2-chloro-5-pyridinecarboxaldehyde |
| IUPAC Name | 6-chloropyridine-3-carbaldehyde |
| InChI Key | AFWWKZCPPRPDQK-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
2-Bromo-4'-chloroacetophenone, 98+%
CAS: 536-38-9 Molecular Formula: C8H6BrClO Molecular Weight (g/mol): 233.49 MDL Number: MFCD00000625 InChI Key: FLAYZKKEOIAALB-UHFFFAOYSA-N Synonym: 2-bromo-4'-chloroacetophenone,2-bromo-1-4-chlorophenyl ethanone,4-chlorophenacyl bromide,p-chlorophenacyl bromide,2-bromo-1-4-chlorophenyl ethan-1-one,ethanone, 2-bromo-1-4-chlorophenyl,4'-chlorophenacyl bromide,2-bromo-p-chloroacetophenone,p-bromoacetyl chlorobenzene,4'-chloro-2-bromoacetophenone PubChem CID: 68303 IUPAC Name: 2-bromo-1-(4-chlorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)Cl
| PubChem CID | 68303 |
|---|---|
| CAS | 536-38-9 |
| Molecular Weight (g/mol) | 233.49 |
| MDL Number | MFCD00000625 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)Cl |
| Synonym | 2-bromo-4'-chloroacetophenone,2-bromo-1-4-chlorophenyl ethanone,4-chlorophenacyl bromide,p-chlorophenacyl bromide,2-bromo-1-4-chlorophenyl ethan-1-one,ethanone, 2-bromo-1-4-chlorophenyl,4'-chlorophenacyl bromide,2-bromo-p-chloroacetophenone,p-bromoacetyl chlorobenzene,4'-chloro-2-bromoacetophenone |
| IUPAC Name | 2-bromo-1-(4-chlorophenyl)ethanone |
| InChI Key | FLAYZKKEOIAALB-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO |
Ethyl 2-cyanoacetoacetate
CAS: 634-55-9 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.15 MDL Number: MFCD00043487 InChI Key: NWOKVFOTWMZMHL-UHFFFAOYNA-N Synonym: ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 PubChem CID: 136455 ChEBI: CHEBI:51924 IUPAC Name: ethyl 2-cyano-3-oxobutanoate SMILES: CCOC(=O)C(C#N)C(C)=O
| PubChem CID | 136455 |
|---|---|
| CAS | 634-55-9 |
| Molecular Weight (g/mol) | 155.15 |
| ChEBI | CHEBI:51924 |
| MDL Number | MFCD00043487 |
| SMILES | CCOC(=O)C(C#N)C(C)=O |
| Synonym | ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 |
| IUPAC Name | ethyl 2-cyano-3-oxobutanoate |
| InChI Key | NWOKVFOTWMZMHL-UHFFFAOYNA-N |
| Molecular Formula | C7H9NO3 |
3'-Bromo-5'-fluoroacetophenone, 96%
CAS: 105515-20-6 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD11847746 InChI Key: MZDXPUDHZBCYGS-UHFFFAOYSA-N Synonym: 1-3-bromo-5-fluorophenyl ethanone,3'-bromo-5'-fluoroacetophenone,1-3-bromo-5-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-5-fluorophenyl,3-bromo-5-fluoroacetophenone,pubchem22227,1-3-bromo-5-fluoro-phenyl-ethanone PubChem CID: 13730359 IUPAC Name: 1-(3-bromo-5-fluorophenyl)ethanone SMILES: CC(=O)C1=CC(F)=CC(Br)=C1
| PubChem CID | 13730359 |
|---|---|
| CAS | 105515-20-6 |
| Molecular Weight (g/mol) | 217.04 |
| MDL Number | MFCD11847746 |
| SMILES | CC(=O)C1=CC(F)=CC(Br)=C1 |
| Synonym | 1-3-bromo-5-fluorophenyl ethanone,3'-bromo-5'-fluoroacetophenone,1-3-bromo-5-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-5-fluorophenyl,3-bromo-5-fluoroacetophenone,pubchem22227,1-3-bromo-5-fluoro-phenyl-ethanone |
| IUPAC Name | 1-(3-bromo-5-fluorophenyl)ethanone |
| InChI Key | MZDXPUDHZBCYGS-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
Ascorbic Acid, Crystalline Powder, 20 to 200 Mesh, U.S.P. - F.C.C., J.T. Baker™
CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| PubChem CID | 54670067 |
|---|---|
| CAS | 50-81-7 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:29073 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| Synonym | l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin |
| IUPAC Name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
4-Methyl-2-pentenal, 95%
CAS: 5362-56-1 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.14 MDL Number: MFCD00800501 InChI Key: RIWPMNBTULNXOH-ONEGZZNKSA-N Synonym: 4-methyl-2-pentenal,unii-sxg1guk91a,e-4-methyl-2-pentenal,sxg1guk91a,fema no. 3510,2-pentenal, 4-methyl,4-methylpent-2-enal,4-methyl-2-penten-1-al,2-pentenal, 4-methyl-, 2e,2e-4-methylpent-2-enal PubChem CID: 5916154 IUPAC Name: (E)-4-methylpent-2-enal SMILES: CC(C)C=CC=O
| PubChem CID | 5916154 |
|---|---|
| CAS | 5362-56-1 |
| Molecular Weight (g/mol) | 98.14 |
| MDL Number | MFCD00800501 |
| SMILES | CC(C)C=CC=O |
| Synonym | 4-methyl-2-pentenal,unii-sxg1guk91a,e-4-methyl-2-pentenal,sxg1guk91a,fema no. 3510,2-pentenal, 4-methyl,4-methylpent-2-enal,4-methyl-2-penten-1-al,2-pentenal, 4-methyl-, 2e,2e-4-methylpent-2-enal |
| IUPAC Name | (E)-4-methylpent-2-enal |
| InChI Key | RIWPMNBTULNXOH-ONEGZZNKSA-N |
| Molecular Formula | C6H10O |
4-Methoxy-1-butanol, 98+%
CAS: 111-32-0 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00040437 InChI Key: KOVAQMSVARJMPH-UHFFFAOYSA-N Synonym: 4-methoxy-1-butanol,1-butanol, 4-methoxy,dowanol bmat,butylene glycol methyl ether,dowanol bm,4-methoxybutyl alcohol,4-methoxybutanol,dowanal bmat,butylene glycol monomethyl ether,4-methoxybutanol-1 PubChem CID: 8107 IUPAC Name: 4-methoxybutan-1-ol SMILES: COCCCCO
| PubChem CID | 8107 |
|---|---|
| CAS | 111-32-0 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00040437 |
| SMILES | COCCCCO |
| Synonym | 4-methoxy-1-butanol,1-butanol, 4-methoxy,dowanol bmat,butylene glycol methyl ether,dowanol bm,4-methoxybutyl alcohol,4-methoxybutanol,dowanal bmat,butylene glycol monomethyl ether,4-methoxybutanol-1 |
| IUPAC Name | 4-methoxybutan-1-ol |
| InChI Key | KOVAQMSVARJMPH-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
2-Methylbutyraldehyde, 95%
CAS: 96-17-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00006984 InChI Key: BYGQBDHUGHBGMD-UHFFFAOYNA-N Synonym: 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal PubChem CID: 7284 ChEBI: CHEBI:16182 IUPAC Name: 2-methylbutanal SMILES: CCC(C)C=O
| PubChem CID | 7284 |
|---|---|
| CAS | 96-17-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16182 |
| MDL Number | MFCD00006984 |
| SMILES | CCC(C)C=O |
| Synonym | 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal |
| IUPAC Name | 2-methylbutanal |
| InChI Key | BYGQBDHUGHBGMD-UHFFFAOYNA-N |
| Molecular Formula | C5H10O |
1,8-Diazafluoren-9-one
CAS: 54078-29-4 Molecular Formula: C11H6N2O Molecular Weight (g/mol): 182.18 InChI Key: FOSUVSBKUIWVKI-UHFFFAOYSA-N Synonym: 9h-cyclopenta 1,2-b:4,3-b' dipyridin-9-one,1,8-diazafluoren-9-one,1,8-diazafluoran-9-one,9h-pyrido 3',2':3,4 cyclopenta 1,2-b pyridin-9-one,6,10-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2,4,6,10,12-hexaen-8-one,1.8-diazafluoren-9-one,9h-1,8-diazafluoren-9-one,fosuvsbkuiwvki-uhfffaoysa,pyridino 2',3'-1,5 cyclopenta 3,4-b pyridin-9-one,6,10-diazatricyclo 7.4.0.0^ 2,7 trideca-1 9 ,2,4,6,10,12-hexaen-8-one PubChem CID: 725961 SMILES: C1=CC2=C(C(=O)C3=C2C=CC=N3)N=C1
| PubChem CID | 725961 |
|---|---|
| CAS | 54078-29-4 |
| Molecular Weight (g/mol) | 182.18 |
| SMILES | C1=CC2=C(C(=O)C3=C2C=CC=N3)N=C1 |
| Synonym | 9h-cyclopenta 1,2-b:4,3-b' dipyridin-9-one,1,8-diazafluoren-9-one,1,8-diazafluoran-9-one,9h-pyrido 3',2':3,4 cyclopenta 1,2-b pyridin-9-one,6,10-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2,4,6,10,12-hexaen-8-one,1.8-diazafluoren-9-one,9h-1,8-diazafluoren-9-one,fosuvsbkuiwvki-uhfffaoysa,pyridino 2',3'-1,5 cyclopenta 3,4-b pyridin-9-one,6,10-diazatricyclo 7.4.0.0^ 2,7 trideca-1 9 ,2,4,6,10,12-hexaen-8-one |
| InChI Key | FOSUVSBKUIWVKI-UHFFFAOYSA-N |
| Molecular Formula | C11H6N2O |
Diethyl (2,4-dichlorophenyl)malonate, 95%
CAS: 111544-93-5 Molecular Formula: C13H14Cl2O4 Molecular Weight (g/mol): 305.15 MDL Number: MFCD00831103 InChI Key: FIGCCTUCURBNIF-UHFFFAOYSA-N Synonym: diethyl 2-2,4-dichlorophenyl malonate,diethyl 2,4-dichlorophenyl malonate,1,3-diethyl 2-2,4-dichlorophenyl propanedioate,diethyl 2-2,4-dichlorophenyl propanedioate,diethyl 2,4-dichlorophenyl propanedioate,diethyl 2,4-dichlorophenylmalonate,2-2,4-dichloro-phenyl-malonic acid diethyl ester,propanedioic acid,2-2,4-dichlorophenyl-,1,3-diethyl ester PubChem CID: 2736112 IUPAC Name: diethyl 2-(2,4-dichlorophenyl)propanedioate SMILES: CCOC(=O)C(C(=O)OCC)C1=CC=C(Cl)C=C1Cl
| PubChem CID | 2736112 |
|---|---|
| CAS | 111544-93-5 |
| Molecular Weight (g/mol) | 305.15 |
| MDL Number | MFCD00831103 |
| SMILES | CCOC(=O)C(C(=O)OCC)C1=CC=C(Cl)C=C1Cl |
| Synonym | diethyl 2-2,4-dichlorophenyl malonate,diethyl 2,4-dichlorophenyl malonate,1,3-diethyl 2-2,4-dichlorophenyl propanedioate,diethyl 2-2,4-dichlorophenyl propanedioate,diethyl 2,4-dichlorophenyl propanedioate,diethyl 2,4-dichlorophenylmalonate,2-2,4-dichloro-phenyl-malonic acid diethyl ester,propanedioic acid,2-2,4-dichlorophenyl-,1,3-diethyl ester |
| IUPAC Name | diethyl 2-(2,4-dichlorophenyl)propanedioate |
| InChI Key | FIGCCTUCURBNIF-UHFFFAOYSA-N |
| Molecular Formula | C13H14Cl2O4 |
Trimethyl orthopropionate, 97%
CAS: 24823-81-2 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00043305 InChI Key: ZGMNAIODRDOMEK-UHFFFAOYSA-N PubChem CID: 141145 IUPAC Name: 1,1,1-trimethoxypropane SMILES: CCC(OC)(OC)OC
| PubChem CID | 141145 |
|---|---|
| CAS | 24823-81-2 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00043305 |
| SMILES | CCC(OC)(OC)OC |
| IUPAC Name | 1,1,1-trimethoxypropane |
| InChI Key | ZGMNAIODRDOMEK-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
2-Pyridinemethanol, 98+%
CAS: 586-98-1 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00006348 InChI Key: SHNUBALDGXWUJI-UHFFFAOYSA-N Synonym: 2-pyridinemethanol,2-hydroxymethyl pyridine,piconol,2-pyridinylmethanol,2-pyridylmethanol,2-pyridylcarbinol,pyridine-2-methanol,pyridine-2-carbinol,alpha-picolyl alcohol,pyridin-2-yl methanol PubChem CID: 11474 IUPAC Name: pyridin-2-ylmethanol SMILES: C1=CC=NC(=C1)CO
| PubChem CID | 11474 |
|---|---|
| CAS | 586-98-1 |
| Molecular Weight (g/mol) | 109.128 |
| MDL Number | MFCD00006348 |
| SMILES | C1=CC=NC(=C1)CO |
| Synonym | 2-pyridinemethanol,2-hydroxymethyl pyridine,piconol,2-pyridinylmethanol,2-pyridylmethanol,2-pyridylcarbinol,pyridine-2-methanol,pyridine-2-carbinol,alpha-picolyl alcohol,pyridin-2-yl methanol |
| IUPAC Name | pyridin-2-ylmethanol |
| InChI Key | SHNUBALDGXWUJI-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |