Organooxygen compounds
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5,6-Dimethoxy-1-indanone, 97%
CAS: 2107-69-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00003790 InChI Key: IHMQOBPGHZFGLC-UHFFFAOYSA-N Synonym: 5,6-dimethoxy-1-indanone,5,6-dimethoxy-2,3-dihydro-1h-inden-1-one,5,6-dimethoxyindan-1-one,5,6-dimethoxy-indan-1-one,1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy,5,6-dimethoxyindanone,unii-f805rzi8go,f805rzi8go,1-indanone, 5,6-dimethoxy,5,6-dimethoxyindan-1-on PubChem CID: 75018 IUPAC Name: 5,6-dimethoxy-2,3-dihydroinden-1-one SMILES: COC1=C(C=C2C(=C1)CCC2=O)OC
| PubChem CID | 75018 |
|---|---|
| CAS | 2107-69-9 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00003790 |
| SMILES | COC1=C(C=C2C(=C1)CCC2=O)OC |
| Synonym | 5,6-dimethoxy-1-indanone,5,6-dimethoxy-2,3-dihydro-1h-inden-1-one,5,6-dimethoxyindan-1-one,5,6-dimethoxy-indan-1-one,1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy,5,6-dimethoxyindanone,unii-f805rzi8go,f805rzi8go,1-indanone, 5,6-dimethoxy,5,6-dimethoxyindan-1-on |
| IUPAC Name | 5,6-dimethoxy-2,3-dihydroinden-1-one |
| InChI Key | IHMQOBPGHZFGLC-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
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 |
Indole-5-carboxaldehyde, 98%
CAS: 1196-69-6 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD02093664 InChI Key: ADZUEEUKBYCSEY-UHFFFAOYSA-N Synonym: indole-5-carboxaldehyde,5-formylindole,indole-5-carbaldehyde,1h-indole-5-carboxaldehyde,5-indolealdehyde,indole-5-aldehyde,5-formyl-1h-indole,5-indolecarboxaldehyde,indole-5-carboxaldehyde 5-formylindole,5-formyl-indole PubChem CID: 589040 IUPAC Name: 1H-indole-5-carbaldehyde SMILES: C1=CC2=C(C=CN2)C=C1C=O
| PubChem CID | 589040 |
|---|---|
| CAS | 1196-69-6 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD02093664 |
| SMILES | C1=CC2=C(C=CN2)C=C1C=O |
| Synonym | indole-5-carboxaldehyde,5-formylindole,indole-5-carbaldehyde,1h-indole-5-carboxaldehyde,5-indolealdehyde,indole-5-aldehyde,5-formyl-1h-indole,5-indolecarboxaldehyde,indole-5-carboxaldehyde 5-formylindole,5-formyl-indole |
| IUPAC Name | 1H-indole-5-carbaldehyde |
| InChI Key | ADZUEEUKBYCSEY-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
2,4-Dimethoxypyrimidine, 98+%
CAS: 3551-55-1 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD00056028 InChI Key: KEVRHVMWBKFGLO-UHFFFAOYSA-N Synonym: pyrimidine, 2,4-dimethoxy,unii-980k6dh82b,dimethoxypyrimidine,zlchem 892,pubchem7104,acmc-1adzt,2,4-dimethoxy-pyrimidine,ksc911k2l,2,4-dimethoxypyrimidine,kevrhvmwbkfglo-uhfffaoysa PubChem CID: 137976 IUPAC Name: 2,4-dimethoxypyrimidine SMILES: COC1=NC(=NC=C1)OC
| PubChem CID | 137976 |
|---|---|
| CAS | 3551-55-1 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD00056028 |
| SMILES | COC1=NC(=NC=C1)OC |
| Synonym | pyrimidine, 2,4-dimethoxy,unii-980k6dh82b,dimethoxypyrimidine,zlchem 892,pubchem7104,acmc-1adzt,2,4-dimethoxy-pyrimidine,ksc911k2l,2,4-dimethoxypyrimidine,kevrhvmwbkfglo-uhfffaoysa |
| IUPAC Name | 2,4-dimethoxypyrimidine |
| InChI Key | KEVRHVMWBKFGLO-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
Diethyl ethylmalonate, 99%
CAS: 133-13-1 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00009167 InChI Key: VQAZCUCWHIIFGE-UHFFFAOYSA-N Synonym: diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate PubChem CID: 8610 IUPAC Name: diethyl 2-ethylpropanedioate SMILES: CCC(C(=O)OCC)C(=O)OCC
| PubChem CID | 8610 |
|---|---|
| CAS | 133-13-1 |
| Molecular Weight (g/mol) | 188.22 |
| MDL Number | MFCD00009167 |
| SMILES | CCC(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate |
| IUPAC Name | diethyl 2-ethylpropanedioate |
| InChI Key | VQAZCUCWHIIFGE-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
Diethyl acetylsuccinate, 97+%
CAS: 1115-30-6 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.233 MDL Number: MFCD00009157 InChI Key: DVSDDICSXBCMQJ-UHFFFAOYSA-N Synonym: diethyl 2-acetylsuccinate,diethyl acetylsuccinate,ethyl acetylsuccinate,diethyl acetosuccinate,butanedioic acid, acetyl-, diethyl ester,acetylsuccinic acid diethyl ester,diethylacetylsuccinate,1,4-diethyl 2-acetylbutanedioate,succinic acid, acetyl-, diethyl ester,butanedioic acid, 2-acetyl-, 1,4-diethyl ester PubChem CID: 66197 IUPAC Name: diethyl 2-acetylbutanedioate SMILES: CCOC(=O)CC(C(=O)C)C(=O)OCC
| PubChem CID | 66197 |
|---|---|
| CAS | 1115-30-6 |
| Molecular Weight (g/mol) | 216.233 |
| MDL Number | MFCD00009157 |
| SMILES | CCOC(=O)CC(C(=O)C)C(=O)OCC |
| Synonym | diethyl 2-acetylsuccinate,diethyl acetylsuccinate,ethyl acetylsuccinate,diethyl acetosuccinate,butanedioic acid, acetyl-, diethyl ester,acetylsuccinic acid diethyl ester,diethylacetylsuccinate,1,4-diethyl 2-acetylbutanedioate,succinic acid, acetyl-, diethyl ester,butanedioic acid, 2-acetyl-, 1,4-diethyl ester |
| IUPAC Name | diethyl 2-acetylbutanedioate |
| InChI Key | DVSDDICSXBCMQJ-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5 |
(R)-(-)-4-Methylmandelic acid, ChiPros∣r, 98%, ee 97+%
CAS: 31284-89-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00798433,MFCD00961860 InChI Key: SFGURAWGCAPHON-UHFFFAOYNA-N Synonym: 2-hydroxy-2-4-methylphenyl acetic acid,4-methylmandelic acid,p-methyl mandelic acid,2-hydroxy-2-p-tolyl acetic acid,hydroxy 4-methylphenyl acetic acid,hydroxy-p-tolyl-acetic acid,p-methylmandelic acid,4-methylmaldelic acid,p-methyl-mandelic acid,acmc-1afsj PubChem CID: 12458823 IUPAC Name: (2R)-2-hydroxy-2-(4-methylphenyl)acetic acid SMILES: CC1=CC=C(C=C1)C(O)C(O)=O
| PubChem CID | 12458823 |
|---|---|
| CAS | 31284-89-6 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00798433,MFCD00961860 |
| SMILES | CC1=CC=C(C=C1)C(O)C(O)=O |
| Synonym | 2-hydroxy-2-4-methylphenyl acetic acid,4-methylmandelic acid,p-methyl mandelic acid,2-hydroxy-2-p-tolyl acetic acid,hydroxy 4-methylphenyl acetic acid,hydroxy-p-tolyl-acetic acid,p-methylmandelic acid,4-methylmaldelic acid,p-methyl-mandelic acid,acmc-1afsj |
| IUPAC Name | (2R)-2-hydroxy-2-(4-methylphenyl)acetic acid |
| InChI Key | SFGURAWGCAPHON-UHFFFAOYNA-N |
| Molecular Formula | C9H10O3 |
3-Bromo-2-butanone, 97%, stab. with <1% magnesium oxide
CAS: 814-75-5 Molecular Formula: C4H7BrO Molecular Weight (g/mol): 151.003 MDL Number: MFCD00013538 InChI Key: BNBOUFHCTIFWHN-UHFFFAOYSA-N Synonym: 3-bromo-2-butanone,2-butanone, 3-bromo,2-bromo-3-butanone,3-bromo-butan-2-one,1-bromoethyl methyl ketone,2-bromobutan-2-one,3-bromobutanone,3-bromo-2-butanon,2-bromo-3-oxobutane,3-bromo-butan-2-on PubChem CID: 13142 IUPAC Name: 3-bromobutan-2-one SMILES: CC(C(=O)C)Br
| PubChem CID | 13142 |
|---|---|
| CAS | 814-75-5 |
| Molecular Weight (g/mol) | 151.003 |
| MDL Number | MFCD00013538 |
| SMILES | CC(C(=O)C)Br |
| Synonym | 3-bromo-2-butanone,2-butanone, 3-bromo,2-bromo-3-butanone,3-bromo-butan-2-one,1-bromoethyl methyl ketone,2-bromobutan-2-one,3-bromobutanone,3-bromo-2-butanon,2-bromo-3-oxobutane,3-bromo-butan-2-on |
| IUPAC Name | 3-bromobutan-2-one |
| InChI Key | BNBOUFHCTIFWHN-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO |
5-Methoxyisatin, 97%
CAS: 39755-95-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00169023 InChI Key: DMHGXMPXHPOXBF-UHFFFAOYSA-N Synonym: 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci PubChem CID: 38333 SMILES: COC1=CC=C2NC(=O)C(=O)C2=C1
| PubChem CID | 38333 |
|---|---|
| CAS | 39755-95-8 |
| Molecular Weight (g/mol) | 177.16 |
| MDL Number | MFCD00169023 |
| SMILES | COC1=CC=C2NC(=O)C(=O)C2=C1 |
| Synonym | 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci |
| InChI Key | DMHGXMPXHPOXBF-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO3 |
3-(4-Fluorobenzoyl)-1,1,1-trifluoroacetone, 97%
CAS: 582-65-0 Molecular Formula: C10H6F4O2 Molecular Weight (g/mol): 234.15 MDL Number: MFCD03419766 InChI Key: KEZLARPKXOHKJS-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-4-fluorophenyl butane-1,3-dione,4,4,4-trifluoro-1-4-fluorophenyl-1,3-butanedione,3-4-fluorobenzoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-4-fluorophenyl,4,4,4-trifluoro-1-4-fluoro-phenyl-butane-1,3-dione,1-4'-fluorophenyl-4,4,4-trifluoro-1,3-butanedione,tos-bb-0670,1-4-fluorophenyl-4,4,4-trifluoro-1,3-butanedione,1-4-fluoro-phenyl-4,4,4-trifluoro-butane-1,3-dione PubChem CID: 2771476 IUPAC Name: 4,4,4-trifluoro-1-(4-fluorophenyl)butane-1,3-dione SMILES: FC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
| PubChem CID | 2771476 |
|---|---|
| CAS | 582-65-0 |
| Molecular Weight (g/mol) | 234.15 |
| MDL Number | MFCD03419766 |
| SMILES | FC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F |
| Synonym | 4,4,4-trifluoro-1-4-fluorophenyl butane-1,3-dione,4,4,4-trifluoro-1-4-fluorophenyl-1,3-butanedione,3-4-fluorobenzoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-4-fluorophenyl,4,4,4-trifluoro-1-4-fluoro-phenyl-butane-1,3-dione,1-4'-fluorophenyl-4,4,4-trifluoro-1,3-butanedione,tos-bb-0670,1-4-fluorophenyl-4,4,4-trifluoro-1,3-butanedione,1-4-fluoro-phenyl-4,4,4-trifluoro-butane-1,3-dione |
| IUPAC Name | 4,4,4-trifluoro-1-(4-fluorophenyl)butane-1,3-dione |
| InChI Key | KEZLARPKXOHKJS-UHFFFAOYSA-N |
| Molecular Formula | C10H6F4O2 |
1-Bromo-2-hexadecanone, 97%, Thermo Scientific Chemicals
CAS: 21436-52-2 Molecular Formula: C16H31BrO Molecular Weight (g/mol): 319.327 MDL Number: MFCD07777089 InChI Key: ICZYLTOWIBJLIK-UHFFFAOYSA-N Synonym: 1-bromo-2-hexadecanone,acmc-1cipg,2-hexadecanone,1-bromo PubChem CID: 14843414 IUPAC Name: 1-bromohexadecan-2-one SMILES: CCCCCCCCCCCCCCC(=O)CBr
| PubChem CID | 14843414 |
|---|---|
| CAS | 21436-52-2 |
| Molecular Weight (g/mol) | 319.327 |
| MDL Number | MFCD07777089 |
| SMILES | CCCCCCCCCCCCCCC(=O)CBr |
| Synonym | 1-bromo-2-hexadecanone,acmc-1cipg,2-hexadecanone,1-bromo |
| IUPAC Name | 1-bromohexadecan-2-one |
| InChI Key | ICZYLTOWIBJLIK-UHFFFAOYSA-N |
| Molecular Formula | C16H31BrO |
Dexpanthenol, USP, 98-102%, Spectrum™ Chemical
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CAS: 81-13-0 Molecular Formula: C9H19NO4 Molecular Weight (g/mol): 205.25 MDL Number: MFCD00065006 InChI Key: SNPLKNRPJHDVJA-ZETCQYMHSA-N IUPAC Name: (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCCO
| CAS | 81-13-0 |
|---|---|
| Molecular Weight (g/mol) | 205.25 |
| MDL Number | MFCD00065006 |
| SMILES | CC(C)(CO)[C@@H](O)C(=O)NCCCO |
| IUPAC Name | (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide |
| InChI Key | SNPLKNRPJHDVJA-ZETCQYMHSA-N |
| Molecular Formula | C9H19NO4 |
2,4-Dimethoxybenzaldehyde, 98%
CAS: 613-45-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 InChI Key: LWRSYTXEQUUTKW-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dimethoxy,2,4-dimethoxybenzaldehyd,2,4-dimethoxy-benzaldehyde,2,4-bis methyloxy benzaldehyde,ameba resin,pubchem8220,acmc-209mro,2,4dimethoxybenzaldehyde,argopore tm-mb-cho,2,4-dimethoxybenzaldehye PubChem CID: 69175 IUPAC Name: 2,4-dimethoxybenzaldehyde SMILES: COC1=CC(=C(C=C1)C=O)OC
| PubChem CID | 69175 |
|---|---|
| CAS | 613-45-6 |
| Molecular Weight (g/mol) | 166.18 |
| SMILES | COC1=CC(=C(C=C1)C=O)OC |
| Synonym | benzaldehyde, 2,4-dimethoxy,2,4-dimethoxybenzaldehyd,2,4-dimethoxy-benzaldehyde,2,4-bis methyloxy benzaldehyde,ameba resin,pubchem8220,acmc-209mro,2,4dimethoxybenzaldehyde,argopore tm-mb-cho,2,4-dimethoxybenzaldehye |
| IUPAC Name | 2,4-dimethoxybenzaldehyde |
| InChI Key | LWRSYTXEQUUTKW-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
| CAS | 2325-10-2 |
|---|---|
| MDL Number | MFCD00064255 |
Naproxen, USP, 98.5-101.5%, Spectrum™ Chemical
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CAS: 22204-53-1 Molecular Formula: C14H14O3 Molecular Weight (g/mol): 230.26 InChI Key: CMWTZPSULFXXJA-UHFFFAOYNA-N IUPAC Name: 2-(6-methoxynaphthalen-2-yl)propanoic acid SMILES: COC1=CC=C2C=C(C=CC2=C1)C(C)C(O)=O
| CAS | 22204-53-1 |
|---|---|
| Molecular Weight (g/mol) | 230.26 |
| SMILES | COC1=CC=C2C=C(C=CC2=C1)C(C)C(O)=O |
| IUPAC Name | 2-(6-methoxynaphthalen-2-yl)propanoic acid |
| InChI Key | CMWTZPSULFXXJA-UHFFFAOYNA-N |
| Molecular Formula | C14H14O3 |