Organooxygen compounds
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2,6-Dichlorophenethyl alcohol, 96%
CAS: 30595-79-0 Molecular Formula: C8H8Cl2O Molecular Weight (g/mol): 191.05 MDL Number: MFCD00800674 InChI Key: ZBQPKQUIKJDGIX-UHFFFAOYSA-N Synonym: 2,6-dichlorophenethyl alcohol,2-2,6-dichlorophenyl ethanol,2,6-dichlorophenethylalcohol,2-2,6-dichlorophenyl ethan-1-ol,2,6-dichlorophenethanol,benzeneethanol, 2,6-dichloro,acmc-209hha,2,6-dichlorobenzeneethanol,ksc493m0h,benzeneethanol,2,6-dichloro PubChem CID: 2734100 IUPAC Name: 2-(2,6-dichlorophenyl)ethanol SMILES: OCCC1=C(Cl)C=CC=C1Cl
| PubChem CID | 2734100 |
|---|---|
| CAS | 30595-79-0 |
| Molecular Weight (g/mol) | 191.05 |
| MDL Number | MFCD00800674 |
| SMILES | OCCC1=C(Cl)C=CC=C1Cl |
| Synonym | 2,6-dichlorophenethyl alcohol,2-2,6-dichlorophenyl ethanol,2,6-dichlorophenethylalcohol,2-2,6-dichlorophenyl ethan-1-ol,2,6-dichlorophenethanol,benzeneethanol, 2,6-dichloro,acmc-209hha,2,6-dichlorobenzeneethanol,ksc493m0h,benzeneethanol,2,6-dichloro |
| IUPAC Name | 2-(2,6-dichlorophenyl)ethanol |
| InChI Key | ZBQPKQUIKJDGIX-UHFFFAOYSA-N |
| Molecular Formula | C8H8Cl2O |
2-Bromo-4'-cyanoacetophenone, 97%
CAS: 20099-89-2 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.06 MDL Number: MFCD00052931 InChI Key: LJANCPRIUMHGJE-UHFFFAOYSA-N Synonym: 4-2-bromoacetyl benzonitrile,4-cyanophenacyl bromide,4-bromoacetyl benzonitrile,2-bromo-4'-cyanoacetophenone,benzonitrile, 4-bromoacetyl,p-cyanophenacyl bromide,4-2-bromo-acetyl-benzonitrile,4-2-bromoethanoyl benzonitrile,4-2-bromoacetyl benzenecarbonitrile PubChem CID: 98654 IUPAC Name: 4-(2-bromoacetyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C(=O)CBr
| PubChem CID | 98654 |
|---|---|
| CAS | 20099-89-2 |
| Molecular Weight (g/mol) | 224.06 |
| MDL Number | MFCD00052931 |
| SMILES | C1=CC(=CC=C1C#N)C(=O)CBr |
| Synonym | 4-2-bromoacetyl benzonitrile,4-cyanophenacyl bromide,4-bromoacetyl benzonitrile,2-bromo-4'-cyanoacetophenone,benzonitrile, 4-bromoacetyl,p-cyanophenacyl bromide,4-2-bromo-acetyl-benzonitrile,4-2-bromoethanoyl benzonitrile,4-2-bromoacetyl benzenecarbonitrile |
| IUPAC Name | 4-(2-bromoacetyl)benzonitrile |
| InChI Key | LJANCPRIUMHGJE-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
Methyl 3-formylbenzoate, 98%
CAS: 52178-50-4 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.2 MDL Number: MFCD00189379 InChI Key: UVSBCUAQEZINCQ-UHFFFAOYSA-N Synonym: 3-carbomethoxybenzaldehyde,methyl m-formylbenzoate,benzoic acid, 3-formyl-, methyl ester,3-formylbenzoic acid methyl ester,methyl-3-formylbenzoate,pubchem12631,m-carbomethoxybenzaldehyde,methyl 3-formyl-benzoate,methyl 3-methanoylbenzoate,acmc-1am8j PubChem CID: 639145 IUPAC Name: methyl 3-formylbenzoate SMILES: COC(=O)C1=CC=CC(=C1)C=O
| PubChem CID | 639145 |
|---|---|
| CAS | 52178-50-4 |
| Molecular Weight (g/mol) | 164.2 |
| MDL Number | MFCD00189379 |
| SMILES | COC(=O)C1=CC=CC(=C1)C=O |
| Synonym | 3-carbomethoxybenzaldehyde,methyl m-formylbenzoate,benzoic acid, 3-formyl-, methyl ester,3-formylbenzoic acid methyl ester,methyl-3-formylbenzoate,pubchem12631,m-carbomethoxybenzaldehyde,methyl 3-formyl-benzoate,methyl 3-methanoylbenzoate,acmc-1am8j |
| IUPAC Name | methyl 3-formylbenzoate |
| InChI Key | UVSBCUAQEZINCQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
1-Methyl-2-imidazolecarboxaldehyde, 97%, Thermo Scientific Chemicals
CAS: 13750-81-7 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01321308 InChI Key: UEBFLTZXUXZPJO-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 PubChem CID: 139575 IUPAC Name: 1-methylimidazole-2-carbaldehyde SMILES: CN1C=CN=C1C=O
| PubChem CID | 139575 |
|---|---|
| CAS | 13750-81-7 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD01321308 |
| SMILES | CN1C=CN=C1C=O |
| Synonym | 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 |
| IUPAC Name | 1-methylimidazole-2-carbaldehyde |
| InChI Key | UEBFLTZXUXZPJO-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
5-Fluoroisatin, 98%
CAS: 443-69-6 MDL Number: MFCD00022795 InChI Key: GKODDAXOSGGARJ-UHFFFAOYSA-N Synonym: 5-fluoroisatin,5-fluoroindoline-2,3-dione,5-fluoro isatin,5-fluoro-2,3-dihydro-1h-indole-2,3-dione,5-fluoroisatine,5-fluoro-2,3-indoledione,5-fluoroindole-2,3-dione,1h-indole-2,3-dione, 5-fluoro,5-fluoro-2,3-indolinedione,5-fluoro-2,3-indolindione PubChem CID: 236566 IUPAC Name: 5-fluoro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1F)C(=O)C(=O)N2
| PubChem CID | 236566 |
|---|---|
| CAS | 443-69-6 |
| MDL Number | MFCD00022795 |
| SMILES | C1=CC2=C(C=C1F)C(=O)C(=O)N2 |
| Synonym | 5-fluoroisatin,5-fluoroindoline-2,3-dione,5-fluoro isatin,5-fluoro-2,3-dihydro-1h-indole-2,3-dione,5-fluoroisatine,5-fluoro-2,3-indoledione,5-fluoroindole-2,3-dione,1h-indole-2,3-dione, 5-fluoro,5-fluoro-2,3-indolinedione,5-fluoro-2,3-indolindione |
| IUPAC Name | 5-fluoro-1H-indole-2,3-dione |
| InChI Key | GKODDAXOSGGARJ-UHFFFAOYSA-N |
Platinum(II) acetylacetonate, 98%
CAS: 15170-57-7 Molecular Formula: C10H14O4Pt Molecular Weight (g/mol): 393.30 MDL Number: MFCD00000028 InChI Key: KLFRPGNCEJNEKU-FDGPNNRMSA-L Synonym: platinum ii acetylacetonate,pt acac 2,platinum bis acetylacetonate,acetylacetone platinum ii salt,platinum 2,4-pentanedionate,2,4-pentanedione platinum ii derivative,bis acetylacetonato platinum,bis acetylacetonato platinum ii,2,4-pentanedione, platinum ii PubChem CID: 10960186 IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;platinum SMILES: [Pt++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| PubChem CID | 10960186 |
|---|---|
| CAS | 15170-57-7 |
| Molecular Weight (g/mol) | 393.30 |
| MDL Number | MFCD00000028 |
| SMILES | [Pt++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | platinum ii acetylacetonate,pt acac 2,platinum bis acetylacetonate,acetylacetone platinum ii salt,platinum 2,4-pentanedionate,2,4-pentanedione platinum ii derivative,bis acetylacetonato platinum,bis acetylacetonato platinum ii,2,4-pentanedione, platinum ii |
| IUPAC Name | (Z)-4-hydroxypent-3-en-2-one;platinum |
| InChI Key | KLFRPGNCEJNEKU-FDGPNNRMSA-L |
| Molecular Formula | C10H14O4Pt |
4-Phenyl-1-buten-4-ol, 97%
CAS: 936-58-3 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00039617 InChI Key: RGKVZBXSJFAZRE-UHFFFAOYSA-N Synonym: 1-phenyl-3-buten-1-ol,4-phenyl-1-buten-4-ol,1-phenyl-but-3-en-1-ol,acmc-1bdtt,upenn_abs_025,1-phenyl-3-buten-1-ol #,benzenemethanol,a-2-propen-1-yl,benzenemethanol, .alpha.-2-propenyl PubChem CID: 220119 IUPAC Name: 1-phenylbut-3-en-1-ol SMILES: C=CCC(C1=CC=CC=C1)O
| PubChem CID | 220119 |
|---|---|
| CAS | 936-58-3 |
| Molecular Weight (g/mol) | 148.2 |
| MDL Number | MFCD00039617 |
| SMILES | C=CCC(C1=CC=CC=C1)O |
| Synonym | 1-phenyl-3-buten-1-ol,4-phenyl-1-buten-4-ol,1-phenyl-but-3-en-1-ol,acmc-1bdtt,upenn_abs_025,1-phenyl-3-buten-1-ol #,benzenemethanol,a-2-propen-1-yl,benzenemethanol, .alpha.-2-propenyl |
| IUPAC Name | 1-phenylbut-3-en-1-ol |
| InChI Key | RGKVZBXSJFAZRE-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
6-Methoxy-3-pyridinecarboxaldehyde, 97%
CAS: 65873-72-5 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD02683446 InChI Key: CTAIEPPAOULMFY-UHFFFAOYSA-N Synonym: 6-methoxynicotinaldehyde,6-methoxy-3-pyridinecarboxaldehyde,5-formyl-2-methoxypyridine,2-methoxypyridine-5-carboxaldehyde,5-formyl-2-methoxy-pyridine,6-methoxy-pyridine-3-carbaldehyde,6-methoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 6-methoxy,6-methoxy-3-nicotinaldehyde,pubchem5152 PubChem CID: 3364576 IUPAC Name: 6-methoxypyridine-3-carbaldehyde SMILES: COC1=CC=C(C=O)C=N1
| PubChem CID | 3364576 |
|---|---|
| CAS | 65873-72-5 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD02683446 |
| SMILES | COC1=CC=C(C=O)C=N1 |
| Synonym | 6-methoxynicotinaldehyde,6-methoxy-3-pyridinecarboxaldehyde,5-formyl-2-methoxypyridine,2-methoxypyridine-5-carboxaldehyde,5-formyl-2-methoxy-pyridine,6-methoxy-pyridine-3-carbaldehyde,6-methoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 6-methoxy,6-methoxy-3-nicotinaldehyde,pubchem5152 |
| IUPAC Name | 6-methoxypyridine-3-carbaldehyde |
| InChI Key | CTAIEPPAOULMFY-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Ethyl potassium malonate, 98%
CAS: 6148-64-7 Molecular Formula: C5H7KO4 Molecular Weight (g/mol): 170.2 MDL Number: MFCD00035603 InChI Key: WVUCPRGADMCTBN-UHFFFAOYSA-M Synonym: ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate PubChem CID: 3446434 IUPAC Name: potassium;3-ethoxy-3-oxopropanoate SMILES: CCOC(=O)CC(=O)[O-].[K+]
| PubChem CID | 3446434 |
|---|---|
| CAS | 6148-64-7 |
| Molecular Weight (g/mol) | 170.2 |
| MDL Number | MFCD00035603 |
| SMILES | CCOC(=O)CC(=O)[O-].[K+] |
| Synonym | ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate |
| IUPAC Name | potassium;3-ethoxy-3-oxopropanoate |
| InChI Key | WVUCPRGADMCTBN-UHFFFAOYSA-M |
| Molecular Formula | C5H7KO4 |
3-Cyclohexyl-1-propanol, 99%
CAS: 1124-63-6 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.24 MDL Number: MFCD00001528 InChI Key: CLYAQFSQLQTVNO-UHFFFAOYSA-N Synonym: cyclohexanepropanol,3-cyclohexyl-1-propanol,3-cyclohexylpropanol,unii-kjb3vo906f,kjb3vo906f,cyclohexylpropyl alcohol,3-hydroxypropylcyclohexane,3-cyclohexylpropyl alcohol,acmc-1c5ti PubChem CID: 70763 IUPAC Name: 3-cyclohexylpropan-1-ol SMILES: C1CCC(CC1)CCCO
| PubChem CID | 70763 |
|---|---|
| CAS | 1124-63-6 |
| Molecular Weight (g/mol) | 142.24 |
| MDL Number | MFCD00001528 |
| SMILES | C1CCC(CC1)CCCO |
| Synonym | cyclohexanepropanol,3-cyclohexyl-1-propanol,3-cyclohexylpropanol,unii-kjb3vo906f,kjb3vo906f,cyclohexylpropyl alcohol,3-hydroxypropylcyclohexane,3-cyclohexylpropyl alcohol,acmc-1c5ti |
| IUPAC Name | 3-cyclohexylpropan-1-ol |
| InChI Key | CLYAQFSQLQTVNO-UHFFFAOYSA-N |
| Molecular Formula | C9H18O |
2-Butoxyacetic acid, 98%
CAS: 2516-93-0 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.15 MDL Number: MFCD00067044 InChI Key: AJQOASGWDCBKCJ-UHFFFAOYSA-N Synonym: butoxyacetic acid,n-butoxyacetic acid,acetic acid, butoxy,ccris 7195,acetic acid, 2-butoxy,2-n-butoxy acetic acid,butoxyaceticacid,3-oxaheptanoic acid,acmc-1cb1h,ajqoasgwdcbkcj-uhfffaoysa PubChem CID: 41958 IUPAC Name: 2-butoxyacetic acid SMILES: CCCCOCC(=O)O
| PubChem CID | 41958 |
|---|---|
| CAS | 2516-93-0 |
| Molecular Weight (g/mol) | 132.15 |
| MDL Number | MFCD00067044 |
| SMILES | CCCCOCC(=O)O |
| Synonym | butoxyacetic acid,n-butoxyacetic acid,acetic acid, butoxy,ccris 7195,acetic acid, 2-butoxy,2-n-butoxy acetic acid,butoxyaceticacid,3-oxaheptanoic acid,acmc-1cb1h,ajqoasgwdcbkcj-uhfffaoysa |
| IUPAC Name | 2-butoxyacetic acid |
| InChI Key | AJQOASGWDCBKCJ-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
Monomethyl monopotassium malonate, 98%
CAS: 38330-80-2 Molecular Formula: C4H5O4·K Molecular Weight (g/mol): 156.18 MDL Number: MFCD00014021 InChI Key: WWTULTKUWBKVGV-UHFFFAOYSA-M Synonym: potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d PubChem CID: 2724687 IUPAC Name: potassium;3-methoxy-3-oxopropanoate SMILES: COC(=O)CC(=O)[O-].[K+]
| PubChem CID | 2724687 |
|---|---|
| CAS | 38330-80-2 |
| Molecular Weight (g/mol) | 156.18 |
| MDL Number | MFCD00014021 |
| SMILES | COC(=O)CC(=O)[O-].[K+] |
| Synonym | potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d |
| IUPAC Name | potassium;3-methoxy-3-oxopropanoate |
| InChI Key | WWTULTKUWBKVGV-UHFFFAOYSA-M |
| Molecular Formula | C4H5O4·K |
2-Methylene-1,3-propanediol, 97%
CAS: 3513-81-3 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00075162 InChI Key: JFFYKITVXPZLQS-UHFFFAOYSA-N Synonym: 2-methylene-1,3-propanediol,2-methylenepropane-1,3-diol,1,3-propanediol, 2-methylene,1,3-dihydroxy-2-methylenepropane,1,3-dihydroxy-2-methylidenepropane,dimethylol ethylene,2-methylene1,3-propanediol,2-methylenepropan-1,3-diol,ksc573o4t,1,3-propanediol,2-methylene PubChem CID: 77048 IUPAC Name: 2-methylidenepropane-1,3-diol SMILES: C=C(CO)CO
| PubChem CID | 77048 |
|---|---|
| CAS | 3513-81-3 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00075162 |
| SMILES | C=C(CO)CO |
| Synonym | 2-methylene-1,3-propanediol,2-methylenepropane-1,3-diol,1,3-propanediol, 2-methylene,1,3-dihydroxy-2-methylenepropane,1,3-dihydroxy-2-methylidenepropane,dimethylol ethylene,2-methylene1,3-propanediol,2-methylenepropan-1,3-diol,ksc573o4t,1,3-propanediol,2-methylene |
| IUPAC Name | 2-methylidenepropane-1,3-diol |
| InChI Key | JFFYKITVXPZLQS-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
5-Bromo-1-indanone, 97%
CAS: 34598-49-7 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.06 MDL Number: MFCD00082718 InChI Key: KSONICAHAPRCMV-UHFFFAOYSA-N Synonym: 5-bromo-1-indanone,5-bromoindanone,5-bromoindan-1-one,5-bromo-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-bromo-2,3-dihydro,1-indanone, 5-bromo,5-bromo-indanone,5-bromo indanone,zlchem 204,5-bromo-1-oxoindane PubChem CID: 520695 IUPAC Name: 5-bromo-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)Br
| PubChem CID | 520695 |
|---|---|
| CAS | 34598-49-7 |
| Molecular Weight (g/mol) | 211.06 |
| MDL Number | MFCD00082718 |
| SMILES | C1CC(=O)C2=C1C=C(C=C2)Br |
| Synonym | 5-bromo-1-indanone,5-bromoindanone,5-bromoindan-1-one,5-bromo-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-bromo-2,3-dihydro,1-indanone, 5-bromo,5-bromo-indanone,5-bromo indanone,zlchem 204,5-bromo-1-oxoindane |
| IUPAC Name | 5-bromo-2,3-dihydroinden-1-one |
| InChI Key | KSONICAHAPRCMV-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO |
Morpholin-3-one, 98%
CAS: 109-11-5 Molecular Formula: C4H7NO2 Molecular Weight (g/mol): 101.11 MDL Number: MFCD00631009 InChI Key: VSEAAEQOQBMPQF-UHFFFAOYSA-N Synonym: 3-morpholinone,3-ketomorpholine,morpholinone,morpholine-3-one,3-oxomorpholine,3-oxo-morpholine,acmc-1bpa5,ksc180o3n,morpholin-3-one; 3-morpholone PubChem CID: 66953 IUPAC Name: morpholin-3-one SMILES: O=C1COCCN1
| PubChem CID | 66953 |
|---|---|
| CAS | 109-11-5 |
| Molecular Weight (g/mol) | 101.11 |
| MDL Number | MFCD00631009 |
| SMILES | O=C1COCCN1 |
| Synonym | 3-morpholinone,3-ketomorpholine,morpholinone,morpholine-3-one,3-oxomorpholine,3-oxo-morpholine,acmc-1bpa5,ksc180o3n,morpholin-3-one; 3-morpholone |
| IUPAC Name | morpholin-3-one |
| InChI Key | VSEAAEQOQBMPQF-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO2 |