Organooxygen compounds
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4'-Bromo-2'-hydroxyacetophenone, 95%
CAS: 30186-18-6 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD03428533 InChI Key: LQCMMXGKEGWUIM-UHFFFAOYSA-N Synonym: 1-4-bromo-2-hydroxyphenyl ethanone,4'-bromo-2'-hydroxyacetophenone,4-bromo-2-hydroxyacetophenone,1-4-bromo-2-hydroxyphenyl ethan-1-one,acetophenone,2-hydroxy-4-bromo,ethanone, 1-4-bromo-2-hydroxyphenyl,2-acetyl-5-bromophenol,1-4-bromo-2-hydroxy-phenyl ethanone,1-4-bromo-2-hydroxy-phenyl-ethanone PubChem CID: 10727403 IUPAC Name: 1-(4-bromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(Br)C=C1
| PubChem CID | 10727403 |
|---|---|
| CAS | 30186-18-6 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD03428533 |
| SMILES | CC(=O)C1=C(O)C=C(Br)C=C1 |
| Synonym | 1-4-bromo-2-hydroxyphenyl ethanone,4'-bromo-2'-hydroxyacetophenone,4-bromo-2-hydroxyacetophenone,1-4-bromo-2-hydroxyphenyl ethan-1-one,acetophenone,2-hydroxy-4-bromo,ethanone, 1-4-bromo-2-hydroxyphenyl,2-acetyl-5-bromophenol,1-4-bromo-2-hydroxy-phenyl ethanone,1-4-bromo-2-hydroxy-phenyl-ethanone |
| IUPAC Name | 1-(4-bromo-2-hydroxyphenyl)ethanone |
| InChI Key | LQCMMXGKEGWUIM-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
1-Phenyl-1,3-butanedione, Spectrum™ Chemical
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CAS: 93-91-4
| CAS | 93-91-4 |
|---|
Isobutyl Alcohol, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
Synonym: 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol
| Synonym | 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol |
|---|
2-Ethoxyethanol, Reagent Grade, 99%, Solstice
CAS: 110-80-5 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00002869 InChI Key: ZNQVEEAIQZEUHB-UHFFFAOYSA-N Synonym: cellosolve,oxitol,ethyl cellosolve,ethylene glycol monoethyl ether,ethanol, 2-ethoxy,ethyl glycol,emkanol,hydroxy ether,ethylene glycol ethyl ether,dowanol ee PubChem CID: 8076 ChEBI: CHEBI:46788 SMILES: CCOCCO
| PubChem CID | 8076 |
|---|---|
| CAS | 110-80-5 |
| Molecular Weight (g/mol) | 90.12 |
| ChEBI | CHEBI:46788 |
| MDL Number | MFCD00002869 |
| SMILES | CCOCCO |
| Synonym | cellosolve,oxitol,ethyl cellosolve,ethylene glycol monoethyl ether,ethanol, 2-ethoxy,ethyl glycol,emkanol,hydroxy ether,ethylene glycol ethyl ether,dowanol ee |
| InChI Key | ZNQVEEAIQZEUHB-UHFFFAOYSA-N |
| Molecular Formula | C4H10O2 |
Bupropion hydrochloride, 99%
CAS: 31677-93-7 Molecular Formula: C13H19Cl2NO Molecular Weight (g/mol): 276.201 MDL Number: MFCD00055209 InChI Key: HEYVINCGKDONRU-UHFFFAOYSA-N Synonym: bupropion hydrochloride,wellbutrin,2-tert-butylamino-1-3-chlorophenyl propan-1-one hydrochloride,bupropion hcl,zyban,wellbutrin xl,bupropion hydrocloride,wellbutrin sr,budeprion,forfivo xl PubChem CID: 62884 IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride SMILES: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl
| PubChem CID | 62884 |
|---|---|
| CAS | 31677-93-7 |
| Molecular Weight (g/mol) | 276.201 |
| MDL Number | MFCD00055209 |
| SMILES | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl |
| Synonym | bupropion hydrochloride,wellbutrin,2-tert-butylamino-1-3-chlorophenyl propan-1-one hydrochloride,bupropion hcl,zyban,wellbutrin xl,bupropion hydrocloride,wellbutrin sr,budeprion,forfivo xl |
| IUPAC Name | 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride |
| InChI Key | HEYVINCGKDONRU-UHFFFAOYSA-N |
| Molecular Formula | C13H19Cl2NO |
Ascorbic Acid USP, Macron Fine Chemicals™
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 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 |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
3-Nonen-2-one, 96%
CAS: 14309-57-0 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.23 MDL Number: MFCD00010241 InChI Key: HDKLIZDXVUCLHQ-BQYQJAHWSA-N Synonym: 3-nonen-2-one,trans-3-nonen-2-one,e-non-3-en-2-one,e-3-nonen-2-one,3-nonen-2-one, 3e,3e-3-nonen-2-one,3e-non-3-en-2-one,unii-fr0k39of16,3e-nonen-2-one,3-nonen-2-one fhfi PubChem CID: 5317045 SMILES: CCCCC\C=C\C(C)=O
| PubChem CID | 5317045 |
|---|---|
| CAS | 14309-57-0 |
| Molecular Weight (g/mol) | 140.23 |
| MDL Number | MFCD00010241 |
| SMILES | CCCCC\C=C\C(C)=O |
| Synonym | 3-nonen-2-one,trans-3-nonen-2-one,e-non-3-en-2-one,e-3-nonen-2-one,3-nonen-2-one, 3e,3e-3-nonen-2-one,3e-non-3-en-2-one,unii-fr0k39of16,3e-nonen-2-one,3-nonen-2-one fhfi |
| InChI Key | HDKLIZDXVUCLHQ-BQYQJAHWSA-N |
| Molecular Formula | C9H16O |
(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methanol, ≥97%, Thermo Scientific™
CAS: 58789-53-0 Molecular Formula: C12H14N2O Molecular Weight (g/mol): 202.257 MDL Number: MFCD06202725 InChI Key: JMWWSNPRAOYPSF-UHFFFAOYSA-N Synonym: 3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl methanol,3,5-dimethyl-1-phenylpyrazol-4-yl methanol,1h-pyrazole-4-methanol,3,5-dimethyl-1-phenyl,3,5-dimethyl-1-phenylpyrazol-4-yl methan-1-ol PubChem CID: 2526674 IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methanol SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)CO
| PubChem CID | 2526674 |
|---|---|
| CAS | 58789-53-0 |
| Molecular Weight (g/mol) | 202.257 |
| MDL Number | MFCD06202725 |
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)CO |
| Synonym | 3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl methanol,3,5-dimethyl-1-phenylpyrazol-4-yl methanol,1h-pyrazole-4-methanol,3,5-dimethyl-1-phenyl,3,5-dimethyl-1-phenylpyrazol-4-yl methan-1-ol |
| IUPAC Name | (3,5-dimethyl-1-phenylpyrazol-4-yl)methanol |
| InChI Key | JMWWSNPRAOYPSF-UHFFFAOYSA-N |
| Molecular Formula | C12H14N2O |
2,4-dimethyl-3-furaldehyde, Thermo Scientific™
CAS: 75002-34-5 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 InChI Key: MGSAYHDYMMHZQE-UHFFFAOYSA-N Synonym: 2,4-dimethyl-3-furaldehyde,3-furancarbaldehyde,2,4-dimethyl,3-furancarboxaldehyde,2,4-dimethyl,3-furancarboxaldehyde, 2,4-dimethyl-9ci PubChem CID: 21702758 IUPAC Name: 2,4-dimethylfuran-3-carbaldehyde SMILES: CC1=COC(=C1C=O)C
| PubChem CID | 21702758 |
|---|---|
| CAS | 75002-34-5 |
| Molecular Weight (g/mol) | 124.139 |
| SMILES | CC1=COC(=C1C=O)C |
| Synonym | 2,4-dimethyl-3-furaldehyde,3-furancarbaldehyde,2,4-dimethyl,3-furancarboxaldehyde,2,4-dimethyl,3-furancarboxaldehyde, 2,4-dimethyl-9ci |
| IUPAC Name | 2,4-dimethylfuran-3-carbaldehyde |
| InChI Key | MGSAYHDYMMHZQE-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
2-Thien-2-ylpyrimidine-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 921939-12-0 Molecular Formula: C9H6N2OS Molecular Weight (g/mol): 190.22 MDL Number: MFCD09817553 InChI Key: DCIBDJAGZUQNKM-UHFFFAOYSA-N Synonym: 2-thiophen-2-yl pyrimidine-5-carbaldehyde,2-thien-2-ylpyrimidine-5-carbaldehyde,2-thien-2-yl pyrimidine-5-carboxaldehyde,2-2-thienyl pyrimidine-5-carbaldehyde,2-thien-2-yl pyrimidine-5-carbaldehyde PubChem CID: 24229730 IUPAC Name: 2-thiophen-2-ylpyrimidine-5-carbaldehyde SMILES: C1=CSC(=C1)C2=NC=C(C=N2)C=O
| PubChem CID | 24229730 |
|---|---|
| CAS | 921939-12-0 |
| Molecular Weight (g/mol) | 190.22 |
| MDL Number | MFCD09817553 |
| SMILES | C1=CSC(=C1)C2=NC=C(C=N2)C=O |
| Synonym | 2-thiophen-2-yl pyrimidine-5-carbaldehyde,2-thien-2-ylpyrimidine-5-carbaldehyde,2-thien-2-yl pyrimidine-5-carboxaldehyde,2-2-thienyl pyrimidine-5-carbaldehyde,2-thien-2-yl pyrimidine-5-carbaldehyde |
| IUPAC Name | 2-thiophen-2-ylpyrimidine-5-carbaldehyde |
| InChI Key | DCIBDJAGZUQNKM-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2OS |
4-Methyl-2-oxovaleric acid, 94%
CAS: 816-66-0 Molecular Formula: C6H9NaO3 Molecular Weight (g/mol): 152.13 MDL Number: MFCD00066204 InChI Key: IXFAZKRLPPMQEO-UHFFFAOYSA-M Synonym: 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate PubChem CID: 70 ChEBI: CHEBI:48430 SMILES: [Na+].CC(C)CC(=O)C([O-])=O
| PubChem CID | 70 |
|---|---|
| CAS | 816-66-0 |
| Molecular Weight (g/mol) | 152.13 |
| ChEBI | CHEBI:48430 |
| MDL Number | MFCD00066204 |
| SMILES | [Na+].CC(C)CC(=O)C([O-])=O |
| Synonym | 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate |
| InChI Key | IXFAZKRLPPMQEO-UHFFFAOYSA-M |
| Molecular Formula | C6H9NaO3 |
Copper(II) hexafluoro-2,4-pentanedionate hydrate, Thermo Scientific Chemicals
CAS: 155640-85-0 Molecular Formula: C10H2CuF12O4 Molecular Weight (g/mol): 477.65 MDL Number: MFCD00151019 InChI Key: HZXGNBMOOYOYIS-PAMPIZDHSA-L Synonym: copper ii hexafluoroacetylacetonate hydrate,bis hexafluoroacetylacetonato copper ii hydrate,copper ii hexafluoro-2,4-pentanedionate hydrate,copper hexafluoroacetylacetonate hydrate,copper ii hexafluoroacetyl-acetonate hydrate,hexafluoroacetylacetonato copper ii hydrate,copper ii hexafluoroacetylacetonate hydrate, elec. gr.,bis 1,1,1,5,5,5-hexafluoroacetylacetonato copper ii hydrate,copper ii 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate hydrate,3z-1,1,1,5,5,5-hexafluoro-4-2z-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl oxy cuprio oxy pent-3-en-2-one hydrate PubChem CID: 56845342 IUPAC Name: copper;(E)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;hydrate SMILES: [Cu++].[O-]\C(=C/C(=O)C(F)(F)F)C(F)(F)F.[O-]\C(=C/C(=O)C(F)(F)F)C(F)(F)F
| PubChem CID | 56845342 |
|---|---|
| CAS | 155640-85-0 |
| Molecular Weight (g/mol) | 477.65 |
| MDL Number | MFCD00151019 |
| SMILES | [Cu++].[O-]\C(=C/C(=O)C(F)(F)F)C(F)(F)F.[O-]\C(=C/C(=O)C(F)(F)F)C(F)(F)F |
| Synonym | copper ii hexafluoroacetylacetonate hydrate,bis hexafluoroacetylacetonato copper ii hydrate,copper ii hexafluoro-2,4-pentanedionate hydrate,copper hexafluoroacetylacetonate hydrate,copper ii hexafluoroacetyl-acetonate hydrate,hexafluoroacetylacetonato copper ii hydrate,copper ii hexafluoroacetylacetonate hydrate, elec. gr.,bis 1,1,1,5,5,5-hexafluoroacetylacetonato copper ii hydrate,copper ii 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate hydrate,3z-1,1,1,5,5,5-hexafluoro-4-2z-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl oxy cuprio oxy pent-3-en-2-one hydrate |
| IUPAC Name | copper;(E)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;hydrate |
| InChI Key | HZXGNBMOOYOYIS-PAMPIZDHSA-L |
| Molecular Formula | C10H2CuF12O4 |
3-Methyl-3-trimethylsiloxy-1-butyne, 97%
CAS: 17869-77-1 Molecular Formula: C8H16OSi Molecular Weight (g/mol): 156.3 MDL Number: MFCD00053867 InChI Key: JNRUXZIXAXHXTN-UHFFFAOYSA-N Synonym: 3-methyl-3-trimethylsilyloxy-1-butyne,trimethyl 2-methylbut-3-yn-2-yloxy silane,trimethyl 2-methylbut-3-yn-2-yl oxy silane,1,1-dimethyl-2-propynyl oxy trimethylsilane,3-methyl-3-trimethylsiloxy-1-butyne,acmc-1brai,silane, 1,1-dimethyl-2-propynyl oxy trimethyl,3-trimethylsiloxy-3-methyl-1-butyne PubChem CID: 87344 IUPAC Name: trimethyl(2-methylbut-3-yn-2-yloxy)silane SMILES: CC(C)(C#C)O[Si](C)(C)C
| PubChem CID | 87344 |
|---|---|
| CAS | 17869-77-1 |
| Molecular Weight (g/mol) | 156.3 |
| MDL Number | MFCD00053867 |
| SMILES | CC(C)(C#C)O[Si](C)(C)C |
| Synonym | 3-methyl-3-trimethylsilyloxy-1-butyne,trimethyl 2-methylbut-3-yn-2-yloxy silane,trimethyl 2-methylbut-3-yn-2-yl oxy silane,1,1-dimethyl-2-propynyl oxy trimethylsilane,3-methyl-3-trimethylsiloxy-1-butyne,acmc-1brai,silane, 1,1-dimethyl-2-propynyl oxy trimethyl,3-trimethylsiloxy-3-methyl-1-butyne |
| IUPAC Name | trimethyl(2-methylbut-3-yn-2-yloxy)silane |
| InChI Key | JNRUXZIXAXHXTN-UHFFFAOYSA-N |
| Molecular Formula | C8H16OSi |
5-Chloro-7-methylisatin, 97%
CAS: 14389-06-1 Molecular Formula: C9H6ClNO2 Molecular Weight (g/mol): 195.602 MDL Number: MFCD00047218 InChI Key: LDFQLYHDZZPAGN-UHFFFAOYSA-N Synonym: 5-chloro-7-methylisatin,5-chloro-7-methylindoline-2,3-dione,5-chloro-7-methyl-2,3-dihydro-1h-indole-2,3-dione,5-chloro-7-methyl-1h-benzo d azolidine-2,3-dione,pubchem13601,acmc-1buvx,isatin-based compound, 56,5-chloro-7-methyl isatin,1h-indole-2,3-dione,5-chloro-7-methyl,5-chloranyl-7-methyl-1h-indole-2,3-dione PubChem CID: 366710 IUPAC Name: 5-chloro-7-methyl-1H-indole-2,3-dione SMILES: CC1=C2C(=CC(=C1)Cl)C(=O)C(=O)N2
| PubChem CID | 366710 |
|---|---|
| CAS | 14389-06-1 |
| Molecular Weight (g/mol) | 195.602 |
| MDL Number | MFCD00047218 |
| SMILES | CC1=C2C(=CC(=C1)Cl)C(=O)C(=O)N2 |
| Synonym | 5-chloro-7-methylisatin,5-chloro-7-methylindoline-2,3-dione,5-chloro-7-methyl-2,3-dihydro-1h-indole-2,3-dione,5-chloro-7-methyl-1h-benzo d azolidine-2,3-dione,pubchem13601,acmc-1buvx,isatin-based compound, 56,5-chloro-7-methyl isatin,1h-indole-2,3-dione,5-chloro-7-methyl,5-chloranyl-7-methyl-1h-indole-2,3-dione |
| IUPAC Name | 5-chloro-7-methyl-1H-indole-2,3-dione |
| InChI Key | LDFQLYHDZZPAGN-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO2 |
1,2-Pentanediol, 96%
CAS: 5343-92-0 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00010736 InChI Key: WCVRQHFDJLLWFE-UHFFFAOYNA-N Synonym: 1,2-pentanediol,1,2-dihydroxypentane,1,2-pentanediol, 2r,acmc-20mbh5,acmc-1axdb,3-01-00-02191 beilstein handbook reference,ksc271i3n,wcvrqhfdjllwfe-uhfffaoysa PubChem CID: 93000 IUPAC Name: pentane-1,2-diol SMILES: CCCC(O)CO
| PubChem CID | 93000 |
|---|---|
| CAS | 5343-92-0 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00010736 |
| SMILES | CCCC(O)CO |
| Synonym | 1,2-pentanediol,1,2-dihydroxypentane,1,2-pentanediol, 2r,acmc-20mbh5,acmc-1axdb,3-01-00-02191 beilstein handbook reference,ksc271i3n,wcvrqhfdjllwfe-uhfffaoysa |
| IUPAC Name | pentane-1,2-diol |
| InChI Key | WCVRQHFDJLLWFE-UHFFFAOYNA-N |
| Molecular Formula | C5H12O2 |