Organooxygen compounds
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Ethyl 3,3-diethoxypropionate, 96%
CAS: 10601-80-6 Molecular Formula: C9H18O4 Molecular Weight (g/mol): 190.239 MDL Number: MFCD00009865 InChI Key: SIALOQYKFQEKOG-UHFFFAOYSA-N PubChem CID: 66389 IUPAC Name: ethyl 3,3-diethoxypropanoate SMILES: CCOC(CC(=O)OCC)OCC
| PubChem CID | 66389 |
|---|---|
| CAS | 10601-80-6 |
| Molecular Weight (g/mol) | 190.239 |
| MDL Number | MFCD00009865 |
| SMILES | CCOC(CC(=O)OCC)OCC |
| IUPAC Name | ethyl 3,3-diethoxypropanoate |
| InChI Key | SIALOQYKFQEKOG-UHFFFAOYSA-N |
| Molecular Formula | C9H18O4 |
1-n-Butylcyclohexanol, 98%
CAS: 5445-30-7 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00021404 InChI Key: RCHLXMOXBJRGNX-UHFFFAOYSA-N Synonym: 1-butylcyclohexanol,cyclohexanol, 1-butyl,1-n-butylcyclohexanol,butylcyclohexanol,1-butyl-cyclohexanol,1-butyl-cyclohexan-1-ol PubChem CID: 138505 IUPAC Name: 1-butylcyclohexan-1-ol SMILES: CCCCC1(CCCCC1)O
| PubChem CID | 138505 |
|---|---|
| CAS | 5445-30-7 |
| Molecular Weight (g/mol) | 156.269 |
| MDL Number | MFCD00021404 |
| SMILES | CCCCC1(CCCCC1)O |
| Synonym | 1-butylcyclohexanol,cyclohexanol, 1-butyl,1-n-butylcyclohexanol,butylcyclohexanol,1-butyl-cyclohexanol,1-butyl-cyclohexan-1-ol |
| IUPAC Name | 1-butylcyclohexan-1-ol |
| InChI Key | RCHLXMOXBJRGNX-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |
2-Hydroxy-3-methylbenzaldehyde, 98%
CAS: 824-42-0 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00040798 InChI Key: IPPQNXSAJZOTJZ-UHFFFAOYSA-N Synonym: 3-methylsalicylaldehyde,2,3-cresotaldehyde,2-hydroxy-3-methyl-benzaldehyde,3-methylsalicylic aldehyde,3-methyl-2-hydroxybenzaldehyde,benzaldehyde, hydroxy-3-methyl,benzaldehyde, 2-hydroxy-3-methyl,zlchem 747,pubchem14264,2-formyl-6-methylphenol PubChem CID: 522777 ChEBI: CHEBI:20110 IUPAC Name: 2-hydroxy-3-methylbenzaldehyde SMILES: CC1=CC=CC(=C1O)C=O
| PubChem CID | 522777 |
|---|---|
| CAS | 824-42-0 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:20110 |
| MDL Number | MFCD00040798 |
| SMILES | CC1=CC=CC(=C1O)C=O |
| Synonym | 3-methylsalicylaldehyde,2,3-cresotaldehyde,2-hydroxy-3-methyl-benzaldehyde,3-methylsalicylic aldehyde,3-methyl-2-hydroxybenzaldehyde,benzaldehyde, hydroxy-3-methyl,benzaldehyde, 2-hydroxy-3-methyl,zlchem 747,pubchem14264,2-formyl-6-methylphenol |
| IUPAC Name | 2-hydroxy-3-methylbenzaldehyde |
| InChI Key | IPPQNXSAJZOTJZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Ethyl picolinoylacetate, 95%
CAS: 26510-52-1 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.20 MDL Number: MFCD00094022 InChI Key: FQHXWZMJALFSJJ-UHFFFAOYSA-N Synonym: ethyl 3-oxo-3-pyridin-2-yl propanoate,ethyl picolinoylacetate,ethyl 3-oxo-3-2-pyridyl propionate,ethyl 3-oxo-3-2-pyridinyl propanoate,ethyl 3-oxo-3-2-pyridyl propanoate,pubchem11088,ethyl-2-pyridoyl acetate,d05hbz,ethyl 3-pyridinyl-3-oxopropionate,2-3-ethoxy-3-oxopropanoyl pyridine PubChem CID: 2736461 IUPAC Name: ethyl 3-oxo-3-pyridin-2-ylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=N1
| PubChem CID | 2736461 |
|---|---|
| CAS | 26510-52-1 |
| Molecular Weight (g/mol) | 193.20 |
| MDL Number | MFCD00094022 |
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=N1 |
| Synonym | ethyl 3-oxo-3-pyridin-2-yl propanoate,ethyl picolinoylacetate,ethyl 3-oxo-3-2-pyridyl propionate,ethyl 3-oxo-3-2-pyridinyl propanoate,ethyl 3-oxo-3-2-pyridyl propanoate,pubchem11088,ethyl-2-pyridoyl acetate,d05hbz,ethyl 3-pyridinyl-3-oxopropionate,2-3-ethoxy-3-oxopropanoyl pyridine |
| IUPAC Name | ethyl 3-oxo-3-pyridin-2-ylpropanoate |
| InChI Key | FQHXWZMJALFSJJ-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
5-(Trifluoromethoxy)isatin, 98%
CAS: 169037-23-4 Molecular Formula: C9H4F3NO3 Molecular Weight (g/mol): 231.13 MDL Number: MFCD00192524 InChI Key: XHAJMVPMNOBILF-UHFFFAOYSA-N Synonym: 5-trifluoromethoxy isatin,5-trifluoromethoxy indoline-2,3-dione,5-trifluoromethoxy-1h-indole-2,3-dione,5-trifluoromethoxyisatin,1h-indole-2,3-dione, 5-trifluoromethoxy,5-trifluoromethoxy-2,3-indolinedione,buttpark 34\07-90,acmc-209dz9,d0zr2t PubChem CID: 2732752 IUPAC Name: 5-(trifluoromethoxy)-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1OC(F)(F)F)C(=O)C(=O)N2
| PubChem CID | 2732752 |
|---|---|
| CAS | 169037-23-4 |
| Molecular Weight (g/mol) | 231.13 |
| MDL Number | MFCD00192524 |
| SMILES | C1=CC2=C(C=C1OC(F)(F)F)C(=O)C(=O)N2 |
| Synonym | 5-trifluoromethoxy isatin,5-trifluoromethoxy indoline-2,3-dione,5-trifluoromethoxy-1h-indole-2,3-dione,5-trifluoromethoxyisatin,1h-indole-2,3-dione, 5-trifluoromethoxy,5-trifluoromethoxy-2,3-indolinedione,buttpark 34\07-90,acmc-209dz9,d0zr2t |
| IUPAC Name | 5-(trifluoromethoxy)-1H-indole-2,3-dione |
| InChI Key | XHAJMVPMNOBILF-UHFFFAOYSA-N |
| Molecular Formula | C9H4F3NO3 |
2-Bromo-6-methoxypyridine, 97%
CAS: 40473-07-2 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD00088345 InChI Key: KMODISUYWZPVGV-UHFFFAOYSA-N Synonym: 2-bromo-6-methoxy-pyridine,pyridine, 2-bromo-6-methoxy,6-bromo-2-methoxypyridine,2-methoxy-6-bromo pyridine,buttpark 82\06-06,2-brom-6-methoxypyridin,zlchem 781,pubchem9206,acmc-209jec,2-bromo-6-methoxy-pyridin PubChem CID: 256810 IUPAC Name: 2-bromo-6-methoxypyridine SMILES: COC1=CC=CC(Br)=N1
| PubChem CID | 256810 |
|---|---|
| CAS | 40473-07-2 |
| Molecular Weight (g/mol) | 188.02 |
| MDL Number | MFCD00088345 |
| SMILES | COC1=CC=CC(Br)=N1 |
| Synonym | 2-bromo-6-methoxy-pyridine,pyridine, 2-bromo-6-methoxy,6-bromo-2-methoxypyridine,2-methoxy-6-bromo pyridine,buttpark 82\06-06,2-brom-6-methoxypyridin,zlchem 781,pubchem9206,acmc-209jec,2-bromo-6-methoxy-pyridin |
| IUPAC Name | 2-bromo-6-methoxypyridine |
| InChI Key | KMODISUYWZPVGV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
4-Bromo-2-methoxypyridine, 97%
CAS: 100367-39-3 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 InChI Key: YFTGMMXMLPTTAY-UHFFFAOYSA-N Synonym: 2-methoxy-4-bromopyridine,4-bromo-2-methoxy-pyridine,pyridine, 4-bromo-2-methoxy,pubchem6657,ksc494g1d,acmc-1c790,abbypharma ap-17-5965 PubChem CID: 14062309 IUPAC Name: 4-bromo-2-methoxypyridine SMILES: COC1=NC=CC(=C1)Br
| PubChem CID | 14062309 |
|---|---|
| CAS | 100367-39-3 |
| Molecular Weight (g/mol) | 188.02 |
| SMILES | COC1=NC=CC(=C1)Br |
| Synonym | 2-methoxy-4-bromopyridine,4-bromo-2-methoxy-pyridine,pyridine, 4-bromo-2-methoxy,pubchem6657,ksc494g1d,acmc-1c790,abbypharma ap-17-5965 |
| IUPAC Name | 4-bromo-2-methoxypyridine |
| InChI Key | YFTGMMXMLPTTAY-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
Butyroin, 97%
CAS: 496-77-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00021928 InChI Key: BVEYJWQCMOVMAR-UHFFFAOYNA-N Synonym: butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone PubChem CID: 219794 IUPAC Name: 5-hydroxyoctan-4-one SMILES: CCCC(O)C(=O)CCC
| PubChem CID | 219794 |
|---|---|
| CAS | 496-77-5 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00021928 |
| SMILES | CCCC(O)C(=O)CCC |
| Synonym | butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone |
| IUPAC Name | 5-hydroxyoctan-4-one |
| InChI Key | BVEYJWQCMOVMAR-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |
4,4,5,5,5-Pentafluoropentan-1-ol, 95%
CAS: 148043-73-6 Molecular Formula: C5H7F5O Molecular Weight (g/mol): 178.1 InChI Key: QROUUECTKRZFHF-UHFFFAOYSA-N Synonym: 4,4,5,5,5-pentafluoro-1-pentanol,4,4,5,5,5-pentafluoropentanol,pentafluoropentanol,1-pentanol, 4,4,5,5,5-pentafluoro,fulvestrant intermediate,acmc-1bz8x,3-perfluoroethyl propan-1-ol,4,4,5,5,5-pentafluoro pentanol,4,4,5,5,5-pentafluoro-pentanol,4,4,5,5,5-pentafluorpentan-1-ol PubChem CID: 547967 IUPAC Name: 4,4,5,5,5-pentafluoropentan-1-ol SMILES: C(CC(C(F)(F)F)(F)F)CO
| PubChem CID | 547967 |
|---|---|
| CAS | 148043-73-6 |
| Molecular Weight (g/mol) | 178.1 |
| SMILES | C(CC(C(F)(F)F)(F)F)CO |
| Synonym | 4,4,5,5,5-pentafluoro-1-pentanol,4,4,5,5,5-pentafluoropentanol,pentafluoropentanol,1-pentanol, 4,4,5,5,5-pentafluoro,fulvestrant intermediate,acmc-1bz8x,3-perfluoroethyl propan-1-ol,4,4,5,5,5-pentafluoro pentanol,4,4,5,5,5-pentafluoro-pentanol,4,4,5,5,5-pentafluorpentan-1-ol |
| IUPAC Name | 4,4,5,5,5-pentafluoropentan-1-ol |
| InChI Key | QROUUECTKRZFHF-UHFFFAOYSA-N |
| Molecular Formula | C5H7F5O |
2-Amino-4'-bromoacetophenone hydrochloride, 97%, Thermo Scientific™
CAS: 5467-72-1 Molecular Formula: C8H8BrNO·ClH Molecular Weight (g/mol): 250.52 MDL Number: MFCD00051998 InChI Key: ROAVTVXTYFSQEA-UHFFFAOYSA-N Synonym: 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl PubChem CID: 2798216 IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl
| PubChem CID | 2798216 |
|---|---|
| CAS | 5467-72-1 |
| Molecular Weight (g/mol) | 250.52 |
| MDL Number | MFCD00051998 |
| SMILES | C1=CC(=CC=C1C(=O)CN)Br.Cl |
| Synonym | 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl |
| IUPAC Name | 2-amino-1-(4-bromophenyl)ethanone;hydrochloride |
| InChI Key | ROAVTVXTYFSQEA-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO·ClH |
4-Bromo-1-methyl-1H-pyrazole-3-carboxaldehyde, 97%, Thermo Scientific Chemicals
CAS: 287917-96-8 Molecular Formula: C5H5BrN2O Molecular Weight (g/mol): 189.01 InChI Key: KGIYMMPLYIITLL-UHFFFAOYSA-N Synonym: 4-bromo-1-methyl-1h-pyrazole-3-carbaldehyde,4-bromo-3-formyl-1-methyl-1h-pyrazole,4-bromo-1-methylpyrazole-3-carboxaldehyde,4-bromo-1-methyl-1h-pyrazole-3-carboxaldehyde,1h-pyrazole-3-carboxaldehyde, 4-bromo-1-methyl,pubchem23668,acmc-209h4p,buttpark 88\08-06,4-bromo-3-formyl-1-methylpyrazole,1h-pyrazole-3-carboxaldehyde,4-bromo-1-methyl PubChem CID: 2735595 IUPAC Name: 4-bromo-1-methylpyrazole-3-carbaldehyde SMILES: CN1C=C(C(=N1)C=O)Br
| PubChem CID | 2735595 |
|---|---|
| CAS | 287917-96-8 |
| Molecular Weight (g/mol) | 189.01 |
| SMILES | CN1C=C(C(=N1)C=O)Br |
| Synonym | 4-bromo-1-methyl-1h-pyrazole-3-carbaldehyde,4-bromo-3-formyl-1-methyl-1h-pyrazole,4-bromo-1-methylpyrazole-3-carboxaldehyde,4-bromo-1-methyl-1h-pyrazole-3-carboxaldehyde,1h-pyrazole-3-carboxaldehyde, 4-bromo-1-methyl,pubchem23668,acmc-209h4p,buttpark 88\08-06,4-bromo-3-formyl-1-methylpyrazole,1h-pyrazole-3-carboxaldehyde,4-bromo-1-methyl |
| IUPAC Name | 4-bromo-1-methylpyrazole-3-carbaldehyde |
| InChI Key | KGIYMMPLYIITLL-UHFFFAOYSA-N |
| Molecular Formula | C5H5BrN2O |
3-Methoxypropionic acid, 97+%
CAS: 2544-06-1 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 InChI Key: YSIKHBWUBSFBRZ-UHFFFAOYSA-N PubChem CID: 134442 IUPAC Name: 3-methoxypropanoic acid SMILES: COCCC(=O)O
| PubChem CID | 134442 |
|---|---|
| CAS | 2544-06-1 |
| Molecular Weight (g/mol) | 104.11 |
| SMILES | COCCC(=O)O |
| IUPAC Name | 3-methoxypropanoic acid |
| InChI Key | YSIKHBWUBSFBRZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
2-Methoxypyridine-4-boronic acid, 95%
CAS: 762262-09-9 Molecular Formula: C6H8BNO3 Molecular Weight (g/mol): 152.94 MDL Number: MFCD07368877 InChI Key: DHQMUJSACXTPEA-UHFFFAOYSA-N Synonym: 2-methoxypyridine-4-boronic acid,2-methoxypyridin-4-yl boronic acid,2-methoxypyridne-4-boronic acid,2-methoxy-4-pyridineboronic acid,2-methoxypyridin-4-yl-4-boronic acid,2-methoxy-4-pyridyl boronic acid,boronic acid, 2-methoxy-4-pyridinyl,2-methoxypyridne-4-boronicacid,pubchem17079,acmc-209p2b PubChem CID: 23546919 IUPAC Name: (2-methoxypyridin-4-yl)boronic acid SMILES: COC1=NC=CC(=C1)B(O)O
| PubChem CID | 23546919 |
|---|---|
| CAS | 762262-09-9 |
| Molecular Weight (g/mol) | 152.94 |
| MDL Number | MFCD07368877 |
| SMILES | COC1=NC=CC(=C1)B(O)O |
| Synonym | 2-methoxypyridine-4-boronic acid,2-methoxypyridin-4-yl boronic acid,2-methoxypyridne-4-boronic acid,2-methoxy-4-pyridineboronic acid,2-methoxypyridin-4-yl-4-boronic acid,2-methoxy-4-pyridyl boronic acid,boronic acid, 2-methoxy-4-pyridinyl,2-methoxypyridne-4-boronicacid,pubchem17079,acmc-209p2b |
| IUPAC Name | (2-methoxypyridin-4-yl)boronic acid |
| InChI Key | DHQMUJSACXTPEA-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
2-Chloroisonicotinaldehyde, 97%, Thermo Scientific™
CAS: 101066-61-9 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.55 MDL Number: MFCD06651557 InChI Key: UFPOSTQMFOYHJI-UHFFFAOYSA-N Synonym: 2-chloroisonicotinaldehyde,2-chloro-4-pyridinecarboxaldehyde,2-chloro-4-formylpyridine,2-chloro-pyridine-4-carbaldehyde,2-chloropyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde, 2-chloro,pubchem5099,6-chloroisonicotinaldehyde,ksc180g9n,2-chloropyridin-4-carbaldehyde PubChem CID: 2762994 IUPAC Name: 2-chloropyridine-4-carbaldehyde SMILES: ClC1=CC(C=O)=CC=N1
| PubChem CID | 2762994 |
|---|---|
| CAS | 101066-61-9 |
| Molecular Weight (g/mol) | 141.55 |
| MDL Number | MFCD06651557 |
| SMILES | ClC1=CC(C=O)=CC=N1 |
| Synonym | 2-chloroisonicotinaldehyde,2-chloro-4-pyridinecarboxaldehyde,2-chloro-4-formylpyridine,2-chloro-pyridine-4-carbaldehyde,2-chloropyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde, 2-chloro,pubchem5099,6-chloroisonicotinaldehyde,ksc180g9n,2-chloropyridin-4-carbaldehyde |
| IUPAC Name | 2-chloropyridine-4-carbaldehyde |
| InChI Key | UFPOSTQMFOYHJI-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
2-Methoxyethanol, ACS reagent
CAS: 109-86-4 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.09 InChI Key: XNWFRZJHXBZDAG-UHFFFAOYSA-N Synonym: methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em PubChem CID: 8019 ChEBI: CHEBI:46790 IUPAC Name: 2-methoxyethanol SMILES: COCCO
| PubChem CID | 8019 |
|---|---|
| CAS | 109-86-4 |
| Molecular Weight (g/mol) | 76.09 |
| ChEBI | CHEBI:46790 |
| SMILES | COCCO |
| Synonym | methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em |
| IUPAC Name | 2-methoxyethanol |
| InChI Key | XNWFRZJHXBZDAG-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |