Organooxygen compounds
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1,4-Cyclohexanediol, 99%, mixture of cis and trans
CAS: 556-48-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00001448,MFCD00063612,MFCD00075462 InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N Synonym: 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane PubChem CID: 11162 IUPAC Name: cyclohexane-1,4-diol SMILES: OC1CCC(O)CC1
| PubChem CID | 11162 |
|---|---|
| CAS | 556-48-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00001448,MFCD00063612,MFCD00075462 |
| SMILES | OC1CCC(O)CC1 |
| Synonym | 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane |
| IUPAC Name | cyclohexane-1,4-diol |
| InChI Key | VKONPUDBRVKQLM-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
3-Pyridyloxyacetic acid, 98%
CAS: 86649-57-2 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD04039772 InChI Key: MBEPWLCDXKKANL-UHFFFAOYSA-N Synonym: pyridin-3-yloxy-acetic acid,2-pyridin-3-yloxy acetic acid,3-pyridyloxyacetic acid,pyridin-3-yloxy acetic acid,2-3-pyridyloxy acetic acid,pyridin-3-yloxy-aceticacid,2-3-pyridinyloxy acetic acid,2-pyridin-3-yloxy aceticacid,acetic acid, 3-pyridinyloxy,2-pyridine-3-yl oxyacetic acid PubChem CID: 3159630 IUPAC Name: 2-pyridin-3-yloxyacetic acid SMILES: OC(=O)COC1=CN=CC=C1
| PubChem CID | 3159630 |
|---|---|
| CAS | 86649-57-2 |
| Molecular Weight (g/mol) | 153.14 |
| MDL Number | MFCD04039772 |
| SMILES | OC(=O)COC1=CN=CC=C1 |
| Synonym | pyridin-3-yloxy-acetic acid,2-pyridin-3-yloxy acetic acid,3-pyridyloxyacetic acid,pyridin-3-yloxy acetic acid,2-3-pyridyloxy acetic acid,pyridin-3-yloxy-aceticacid,2-3-pyridinyloxy acetic acid,2-pyridin-3-yloxy aceticacid,acetic acid, 3-pyridinyloxy,2-pyridine-3-yl oxyacetic acid |
| IUPAC Name | 2-pyridin-3-yloxyacetic acid |
| InChI Key | MBEPWLCDXKKANL-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
2-Cyclopentyloxypyridine-3-boronic acid pinacol ester, 96%, Thermo Scientific™
CAS: 1073371-90-0 Molecular Formula: C16H24BNO3 Molecular Weight (g/mol): 289.18 MDL Number: MFCD07781170 InChI Key: GZCZGFSEHAZEPS-UHFFFAOYSA-N Synonym: 2-cyclopentyloxy-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-cyclopentyloxypyridine-3-boronic acid pinacol ester,2-cyclopentyloxy pyridine-3-boronic acid pinacol ester,2-cyclopentyloxy-3-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-cyclopentyloxy pyridine-3-boronic acid, pinacol ester,2-cyclopentyloxy pyridin-3-yl boronic acid pinacol ester PubChem CID: 24208792 IUPAC Name: 2-cyclopentyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: CC1(C)OB(OC1(C)C)C1=C(OC2CCCC2)N=CC=C1
| PubChem CID | 24208792 |
|---|---|
| CAS | 1073371-90-0 |
| Molecular Weight (g/mol) | 289.18 |
| MDL Number | MFCD07781170 |
| SMILES | CC1(C)OB(OC1(C)C)C1=C(OC2CCCC2)N=CC=C1 |
| Synonym | 2-cyclopentyloxy-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-cyclopentyloxypyridine-3-boronic acid pinacol ester,2-cyclopentyloxy pyridine-3-boronic acid pinacol ester,2-cyclopentyloxy-3-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-cyclopentyloxy pyridine-3-boronic acid, pinacol ester,2-cyclopentyloxy pyridin-3-yl boronic acid pinacol ester |
| IUPAC Name | 2-cyclopentyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | GZCZGFSEHAZEPS-UHFFFAOYSA-N |
| Molecular Formula | C16H24BNO3 |
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 |
2-Chlorocyclohexanone, 95%, stabilized
CAS: 822-87-7 Molecular Formula: C6H9ClO Molecular Weight (g/mol): 132.59 MDL Number: MFCD00001626 InChI Key: CCHNWURRBFGQCD-UHFFFAOYNA-N Synonym: 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted PubChem CID: 13203 IUPAC Name: 2-chlorocyclohexan-1-one SMILES: ClC1CCCCC1=O
| PubChem CID | 13203 |
|---|---|
| CAS | 822-87-7 |
| Molecular Weight (g/mol) | 132.59 |
| MDL Number | MFCD00001626 |
| SMILES | ClC1CCCCC1=O |
| Synonym | 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted |
| IUPAC Name | 2-chlorocyclohexan-1-one |
| InChI Key | CCHNWURRBFGQCD-UHFFFAOYNA-N |
| Molecular Formula | C6H9ClO |
1-Methyl-3-phenyl-1H-pyrazole-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 864068-96-2 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD08271941 InChI Key: XFGHBJQGDDYIKS-UHFFFAOYSA-N Synonym: 1-methyl-3-phenyl-1h-pyrazole-5-carbaldehyde,1-methyl-3-phenylpyrazole-5-carbaldehyde,2-methyl-5-phenyl-2h-pyrazole-3-carbaldehyde,5-formyl-1-methyl-3-phenyl-1h-pyrazole,1h-pyrazole-5-carboxaldehyde,1-methyl-3-phenyl PubChem CID: 7537629 SMILES: CN1N=C(C=C1C=O)C1=CC=CC=C1
| PubChem CID | 7537629 |
|---|---|
| CAS | 864068-96-2 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD08271941 |
| SMILES | CN1N=C(C=C1C=O)C1=CC=CC=C1 |
| Synonym | 1-methyl-3-phenyl-1h-pyrazole-5-carbaldehyde,1-methyl-3-phenylpyrazole-5-carbaldehyde,2-methyl-5-phenyl-2h-pyrazole-3-carbaldehyde,5-formyl-1-methyl-3-phenyl-1h-pyrazole,1h-pyrazole-5-carboxaldehyde,1-methyl-3-phenyl |
| InChI Key | XFGHBJQGDDYIKS-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
5,7-Dimethylisatin, 96%
CAS: 39603-24-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00047219 InChI Key: HFZSCCJTJGWTDZ-UHFFFAOYSA-N Synonym: 5,7-dimethylisatin,5,7-dimethylindoline-2,3-dione,5,7-dimethyl-indole-2,3-dione,5,7-dimethyl-2,3-dihydro-1h-indole-2,3-dione,1h-indole-2,3-dione, 5,7-dimethyl,indole-2,3-dione, 5,7-dimethyl,1h-indole-2,3-dione, 5,7-dimethyl-9ci,acmc-20a4zq,isatin-based compound, 48,1h-indole-2,3-dione,5,7-dimethyl PubChem CID: 38296 IUPAC Name: 5,7-dimethyl-1H-indole-2,3-dione SMILES: CC1=CC(=C2C(=C1)C(=O)C(=O)N2)C
| PubChem CID | 38296 |
|---|---|
| CAS | 39603-24-2 |
| Molecular Weight (g/mol) | 175.187 |
| MDL Number | MFCD00047219 |
| SMILES | CC1=CC(=C2C(=C1)C(=O)C(=O)N2)C |
| Synonym | 5,7-dimethylisatin,5,7-dimethylindoline-2,3-dione,5,7-dimethyl-indole-2,3-dione,5,7-dimethyl-2,3-dihydro-1h-indole-2,3-dione,1h-indole-2,3-dione, 5,7-dimethyl,indole-2,3-dione, 5,7-dimethyl,1h-indole-2,3-dione, 5,7-dimethyl-9ci,acmc-20a4zq,isatin-based compound, 48,1h-indole-2,3-dione,5,7-dimethyl |
| IUPAC Name | 5,7-dimethyl-1H-indole-2,3-dione |
| InChI Key | HFZSCCJTJGWTDZ-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
1-Benzothiophen-3-ylmethanol, 97%, Thermo Scientific™
CAS: 5381-24-8 Molecular Formula: C9H8OS Molecular Weight (g/mol): 164.22 MDL Number: MFCD02682007 InChI Key: UYGMKSKKGSUAHB-UHFFFAOYSA-N Synonym: benzo b thiophen-3-ylmethanol,benzo b thiophene-3-methanol,benzothien-3-ylmethanol,benzo,a thiophene-3-methanol,benzo b thiophen-3-yl methanol,1-benzothiophen-3-yl methanol,3-hydroxymethylbenzo b thiophene,benzo b thiophen-3-ylmethan-1-ol,3-hydroxymethyl benzo b thiophene PubChem CID: 2776342 SMILES: OCC1=CSC2=CC=CC=C12
| PubChem CID | 2776342 |
|---|---|
| CAS | 5381-24-8 |
| Molecular Weight (g/mol) | 164.22 |
| MDL Number | MFCD02682007 |
| SMILES | OCC1=CSC2=CC=CC=C12 |
| Synonym | benzo b thiophen-3-ylmethanol,benzo b thiophene-3-methanol,benzothien-3-ylmethanol,benzo,a thiophene-3-methanol,benzo b thiophen-3-yl methanol,1-benzothiophen-3-yl methanol,3-hydroxymethylbenzo b thiophene,benzo b thiophen-3-ylmethan-1-ol,3-hydroxymethyl benzo b thiophene |
| InChI Key | UYGMKSKKGSUAHB-UHFFFAOYSA-N |
| Molecular Formula | C9H8OS |
Diethyl tert-butylmalonate, 96%
CAS: 759-24-0 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00009152 InChI Key: RJNICNBRGVKNSR-UHFFFAOYSA-N Synonym: diethyl tert-butylmalonate,diethyl t-butylmalonate,diethyl 1,1-dimethylethyl malonate,diethyl 2-tert-butyl malonate,propanedioic acid, 1,1-dimethylethyl-, diethyl ester,diethyltert-butylmalonate,diethyl 2-tert-butylmalonate #,tert-butylmalonic acid diethyl ester,1,3-diethyl 2-tert-butylpropanedioate PubChem CID: 69798 IUPAC Name: diethyl 2-tert-butylpropanedioate SMILES: CCOC(=O)C(C(=O)OCC)C(C)(C)C
| PubChem CID | 69798 |
|---|---|
| CAS | 759-24-0 |
| Molecular Weight (g/mol) | 216.28 |
| MDL Number | MFCD00009152 |
| SMILES | CCOC(=O)C(C(=O)OCC)C(C)(C)C |
| Synonym | diethyl tert-butylmalonate,diethyl t-butylmalonate,diethyl 1,1-dimethylethyl malonate,diethyl 2-tert-butyl malonate,propanedioic acid, 1,1-dimethylethyl-, diethyl ester,diethyltert-butylmalonate,diethyl 2-tert-butylmalonate #,tert-butylmalonic acid diethyl ester,1,3-diethyl 2-tert-butylpropanedioate |
| IUPAC Name | diethyl 2-tert-butylpropanedioate |
| InChI Key | RJNICNBRGVKNSR-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
Glyoxylic acid, 50% w/w aq. soln.
CAS: 298-12-4 Molecular Formula: C2H2O3 Molecular Weight (g/mol): 74.035 MDL Number: MFCD00006958 InChI Key: HHLFWLYXYJOTON-UHFFFAOYSA-N Synonym: glyoxylic acid,2-oxoacetic acid,oxoacetic acid,oxoethanoic acid,glyoxalic acid,formylformic acid,acetic acid, oxo,oxalaldehydic acid,glyoxylate,alpha-ketoacetic acid PubChem CID: 760 ChEBI: CHEBI:16891 IUPAC Name: oxaldehydic acid SMILES: C(=O)C(=O)O
| PubChem CID | 760 |
|---|---|
| CAS | 298-12-4 |
| Molecular Weight (g/mol) | 74.035 |
| ChEBI | CHEBI:16891 |
| MDL Number | MFCD00006958 |
| SMILES | C(=O)C(=O)O |
| Synonym | glyoxylic acid,2-oxoacetic acid,oxoacetic acid,oxoethanoic acid,glyoxalic acid,formylformic acid,acetic acid, oxo,oxalaldehydic acid,glyoxylate,alpha-ketoacetic acid |
| IUPAC Name | oxaldehydic acid |
| InChI Key | HHLFWLYXYJOTON-UHFFFAOYSA-N |
| Molecular Formula | C2H2O3 |
2-Bromo-3'-(trifluoromethyl)acetophenone, 98%
CAS: 2003-10-3 Molecular Formula: C9H6BrF3O Molecular Weight (g/mol): 267.05 MDL Number: MFCD03094283 InChI Key: TZIYNLSEBAYCBZ-UHFFFAOYSA-N
| CAS | 2003-10-3 |
|---|---|
| Molecular Weight (g/mol) | 267.05 |
| MDL Number | MFCD03094283 |
| InChI Key | TZIYNLSEBAYCBZ-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrF3O |
Tetramethyl orthocarbonate, 95%
CAS: 1850-14-2 Molecular Formula: C5H12O4 Molecular Weight (g/mol): 136.147 MDL Number: MFCD00008473 InChI Key: AHJWSRRHTXRLAQ-UHFFFAOYSA-N Synonym: tetramethyl orthocarbonate,methane, tetramethoxy,orthocarbonic acid tetramethyl ester,tetramethoxy-methane,tetramethylorthocarbonate,acmc-209emf,tetramethyl ortho carbonate,tetramethyl orthocarbonate, purum gc PubChem CID: 74613 IUPAC Name: tetramethoxymethane SMILES: COC(OC)(OC)OC
| PubChem CID | 74613 |
|---|---|
| CAS | 1850-14-2 |
| Molecular Weight (g/mol) | 136.147 |
| MDL Number | MFCD00008473 |
| SMILES | COC(OC)(OC)OC |
| Synonym | tetramethyl orthocarbonate,methane, tetramethoxy,orthocarbonic acid tetramethyl ester,tetramethoxy-methane,tetramethylorthocarbonate,acmc-209emf,tetramethyl ortho carbonate,tetramethyl orthocarbonate, purum gc |
| IUPAC Name | tetramethoxymethane |
| InChI Key | AHJWSRRHTXRLAQ-UHFFFAOYSA-N |
| Molecular Formula | C5H12O4 |
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 |
2,6-Dimethoxynaphthalene, 99%
CAS: 5486-55-5 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00004063 InChI Key: AHKDVDYNDXGFPP-UHFFFAOYSA-N Synonym: naphthalene, 2,6-dimethoxy,2,6-dimethoxy-naphthalene,2,6-dimethoxy naphthalene,pubchem22734,naphthalene,6-dimethoxy,acmc-1ap1a,2,6-dimethoxynaphthalene PubChem CID: 79627 IUPAC Name: 2,6-dimethoxynaphthalene SMILES: COC1=CC2=CC=C(OC)C=C2C=C1
| PubChem CID | 79627 |
|---|---|
| CAS | 5486-55-5 |
| Molecular Weight (g/mol) | 188.23 |
| MDL Number | MFCD00004063 |
| SMILES | COC1=CC2=CC=C(OC)C=C2C=C1 |
| Synonym | naphthalene, 2,6-dimethoxy,2,6-dimethoxy-naphthalene,2,6-dimethoxy naphthalene,pubchem22734,naphthalene,6-dimethoxy,acmc-1ap1a,2,6-dimethoxynaphthalene |
| IUPAC Name | 2,6-dimethoxynaphthalene |
| InChI Key | AHKDVDYNDXGFPP-UHFFFAOYSA-N |
| Molecular Formula | C12H12O2 |
2',5'-Dichloroacetophenone, 96%, Thermo Scientific™
CAS: 2476-37-1 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00000607 InChI Key: CYNFEPKQDJHIMV-UHFFFAOYSA-N Synonym: 2',5'-dichloroacetophenone,1-2,5-dichlorophenyl ethanone,2,5-dichloroacetophenone,ethanone, 1-2,5-dichlorophenyl,acetophenone, 2',5'-dichloro,1-2,5-dichlorophenyl ethan-1-one,1-acetyl-2,5-dichlorobenzene,2,5-dichloracetophenon,pubchem10586,acmc-1cmfm PubChem CID: 75587 IUPAC Name: 1-(2,5-dichlorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)Cl)Cl
| PubChem CID | 75587 |
|---|---|
| CAS | 2476-37-1 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00000607 |
| SMILES | CC(=O)C1=C(C=CC(=C1)Cl)Cl |
| Synonym | 2',5'-dichloroacetophenone,1-2,5-dichlorophenyl ethanone,2,5-dichloroacetophenone,ethanone, 1-2,5-dichlorophenyl,acetophenone, 2',5'-dichloro,1-2,5-dichlorophenyl ethan-1-one,1-acetyl-2,5-dichlorobenzene,2,5-dichloracetophenon,pubchem10586,acmc-1cmfm |
| IUPAC Name | 1-(2,5-dichlorophenyl)ethanone |
| InChI Key | CYNFEPKQDJHIMV-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |