Organooxygen compounds
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1-Benzylisatin 97.0+%, TCI America™
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CAS: 1217-89-6 Molecular Formula: C15H11NO2 Molecular Weight (g/mol): 237.26 MDL Number: MFCD00187663 InChI Key: SIISFRLGYDVIRG-UHFFFAOYSA-N Synonym: 1-Benzylindole-2,3-dione, 1-Benzyl-2,3-indolinedione PubChem CID: 264734 IUPAC Name: 1-benzyl-2,3-dihydro-1H-indole-2,3-dione SMILES: O=C1N(CC2=CC=CC=C2)C2=CC=CC=C2C1=O
| PubChem CID | 264734 |
|---|---|
| CAS | 1217-89-6 |
| Molecular Weight (g/mol) | 237.26 |
| MDL Number | MFCD00187663 |
| SMILES | O=C1N(CC2=CC=CC=C2)C2=CC=CC=C2C1=O |
| Synonym | 1-Benzylindole-2,3-dione, 1-Benzyl-2,3-indolinedione |
| IUPAC Name | 1-benzyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | SIISFRLGYDVIRG-UHFFFAOYSA-N |
| Molecular Formula | C15H11NO2 |
2,3-Dimercapto-1-propanol 95.0+%, TCI America™
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CAS: 59-52-9 Molecular Formula: C3H8OS2 Molecular Weight (g/mol): 124.216 MDL Number: MFCD00004864 InChI Key: WQABCVAJNWAXTE-UHFFFAOYSA-N Synonym: dimercaprol,2,3-dimercapto-1-propanol,2,3-dimercaptopropanol,dithioglycerine,dicaptol,sulfactin,dimercaptopropanol,british anti-lewisite,2,3-dithiopropanol,antoxol PubChem CID: 3080 ChEBI: CHEBI:64198 IUPAC Name: 2,3-bis(sulfanyl)propan-1-ol SMILES: C(C(CS)S)O
| PubChem CID | 3080 |
|---|---|
| CAS | 59-52-9 |
| Molecular Weight (g/mol) | 124.216 |
| ChEBI | CHEBI:64198 |
| MDL Number | MFCD00004864 |
| SMILES | C(C(CS)S)O |
| Synonym | dimercaprol,2,3-dimercapto-1-propanol,2,3-dimercaptopropanol,dithioglycerine,dicaptol,sulfactin,dimercaptopropanol,british anti-lewisite,2,3-dithiopropanol,antoxol |
| IUPAC Name | 2,3-bis(sulfanyl)propan-1-ol |
| InChI Key | WQABCVAJNWAXTE-UHFFFAOYSA-N |
| Molecular Formula | C3H8OS2 |
3-Hydroxy-1-adamantanecarboxylic Acid 97.0+%, TCI America™
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CAS: 42711-75-1 Molecular Formula: C11H15O3 Molecular Weight (g/mol): 195.24 MDL Number: MFCD00193929 InChI Key: CJJMAWPEZKYJAP-JZVMUCMXSA-M Synonym: 3-hydroxy-1-adamantanecarboxylic acid,3-hydroxy-adamantane-1-carboxylic acid,3-hydroxyadamantanecarboxylic acid,1-carboxy-3-adamantanol,3-hydroxy-1-adamantane carboxylic acid,3-hydroxytricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3-carboxy-1-hydroxyadamantane,3-hydroxy-tricyclo,acmc-1aqmu,3-carboxy-1-adamantanol PubChem CID: 2736518 IUPAC Name: (5R,7S)-3-hydroxyadamantane-1-carboxylate SMILES: OC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C([O-])=O
| PubChem CID | 2736518 |
|---|---|
| CAS | 42711-75-1 |
| Molecular Weight (g/mol) | 195.24 |
| MDL Number | MFCD00193929 |
| SMILES | OC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C([O-])=O |
| Synonym | 3-hydroxy-1-adamantanecarboxylic acid,3-hydroxy-adamantane-1-carboxylic acid,3-hydroxyadamantanecarboxylic acid,1-carboxy-3-adamantanol,3-hydroxy-1-adamantane carboxylic acid,3-hydroxytricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3-carboxy-1-hydroxyadamantane,3-hydroxy-tricyclo,acmc-1aqmu,3-carboxy-1-adamantanol |
| IUPAC Name | (5R,7S)-3-hydroxyadamantane-1-carboxylate |
| InChI Key | CJJMAWPEZKYJAP-JZVMUCMXSA-M |
| Molecular Formula | C11H15O3 |
4'-Nitrobenzo-18-crown 6-Ether 97.0+%, TCI America™
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CAS: 53408-96-1 Molecular Formula: C16H23NO8 Molecular Weight (g/mol): 357.359 MDL Number: MFCD00143207 InChI Key: LQXOKBZWNFJJGI-UHFFFAOYSA-N Synonym: 4-nitrobenzo-18-crown-6,4'-nitrobenzo-18-crown 6-ether,nitrobenzo-18-crown-6,18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine,20-nitro-2,5,8,11,14,17-hexaoxabicyclo 16.4.0 docosa-1 18 ,19,21-triene,4'-nitrobenzo-18-crown-6,lqxokbzwnfjjgi-uhfffaoysa,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacycloocta,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene PubChem CID: 602198 IUPAC Name: 20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene SMILES: C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1
| PubChem CID | 602198 |
|---|---|
| CAS | 53408-96-1 |
| Molecular Weight (g/mol) | 357.359 |
| MDL Number | MFCD00143207 |
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1 |
| Synonym | 4-nitrobenzo-18-crown-6,4'-nitrobenzo-18-crown 6-ether,nitrobenzo-18-crown-6,18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine,20-nitro-2,5,8,11,14,17-hexaoxabicyclo 16.4.0 docosa-1 18 ,19,21-triene,4'-nitrobenzo-18-crown-6,lqxokbzwnfjjgi-uhfffaoysa,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacycloocta,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene |
| IUPAC Name | 20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene |
| InChI Key | LQXOKBZWNFJJGI-UHFFFAOYSA-N |
| Molecular Formula | C16H23NO8 |
6-Chloro-3-formylchromone 98.0+%, TCI America™
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CAS: 42248-31-7 Molecular Formula: C10H5ClO3 Molecular Weight (g/mol): 208.597 MDL Number: MFCD00139138 InChI Key: LIGLNCRTMDRUAO-UHFFFAOYSA-N Synonym: 6-chloro-3-formylchromone,6-chloro-4-oxo-4h-chromene-3-carbaldehyde,chembl84898,4h-1-benzopyran-3-carboxaldehyde,6-chloro-4-oxo,6-chloro-4-oxo-4h-1-benzopyran-3-carboxaldehyde,zlchem 688,3-formyl-6-chlorochromone,6-chlorochromone-3-carboxaldehyde,6-chloro-4-oxo-chromene-3-carbaldehyde,6-chloro-4-oxo-1-benzopyran-3-carboxaldehyde PubChem CID: 463777 IUPAC Name: 6-chloro-4-oxochromene-3-carbaldehyde SMILES: C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=O
| PubChem CID | 463777 |
|---|---|
| CAS | 42248-31-7 |
| Molecular Weight (g/mol) | 208.597 |
| MDL Number | MFCD00139138 |
| SMILES | C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=O |
| Synonym | 6-chloro-3-formylchromone,6-chloro-4-oxo-4h-chromene-3-carbaldehyde,chembl84898,4h-1-benzopyran-3-carboxaldehyde,6-chloro-4-oxo,6-chloro-4-oxo-4h-1-benzopyran-3-carboxaldehyde,zlchem 688,3-formyl-6-chlorochromone,6-chlorochromone-3-carboxaldehyde,6-chloro-4-oxo-chromene-3-carbaldehyde,6-chloro-4-oxo-1-benzopyran-3-carboxaldehyde |
| IUPAC Name | 6-chloro-4-oxochromene-3-carbaldehyde |
| InChI Key | LIGLNCRTMDRUAO-UHFFFAOYSA-N |
| Molecular Formula | C10H5ClO3 |
N,N,N',N'-Tetraethylmalonamide 97.0+%, TCI America™
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CAS: 33931-42-9 Molecular Formula: C11H22N2O2 Molecular Weight (g/mol): 214.309 MDL Number: MFCD06797171 InChI Key: RTHWPWJSSJEQNU-UHFFFAOYSA-N PubChem CID: 551770 IUPAC Name: N,N,N',N'-tetraethylpropanediamide SMILES: CCN(CC)C(=O)CC(=O)N(CC)CC
| PubChem CID | 551770 |
|---|---|
| CAS | 33931-42-9 |
| Molecular Weight (g/mol) | 214.309 |
| MDL Number | MFCD06797171 |
| SMILES | CCN(CC)C(=O)CC(=O)N(CC)CC |
| IUPAC Name | N,N,N',N'-tetraethylpropanediamide |
| InChI Key | RTHWPWJSSJEQNU-UHFFFAOYSA-N |
| Molecular Formula | C11H22N2O2 |
4'-Isobutylacetophenone 96.0+%, TCI America™
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CAS: 38861-78-8 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00027393 InChI Key: KEAGRYYGYWZVPC-UHFFFAOYSA-N Synonym: 4'-isobutylacetophenone,4-isobutylacetophenone,p-iso-butylacetophenone,1-4-isobutylphenyl ethanone,p-isobutylacetophenone,ethanone, 1-4-2-methylpropyl phenyl,1-4-2-methylpropyl phenyl ethan-1-one,acetophenone, 4-isobutyl,1-4-2-methylpropyl phenyl ethanone,unii-aml715rd20 PubChem CID: 93214 IUPAC Name: 1-[4-(2-methylpropyl)phenyl]ethanone SMILES: CC(C)CC1=CC=C(C=C1)C(=O)C
| PubChem CID | 93214 |
|---|---|
| CAS | 38861-78-8 |
| Molecular Weight (g/mol) | 176.259 |
| MDL Number | MFCD00027393 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(=O)C |
| Synonym | 4'-isobutylacetophenone,4-isobutylacetophenone,p-iso-butylacetophenone,1-4-isobutylphenyl ethanone,p-isobutylacetophenone,ethanone, 1-4-2-methylpropyl phenyl,1-4-2-methylpropyl phenyl ethan-1-one,acetophenone, 4-isobutyl,1-4-2-methylpropyl phenyl ethanone,unii-aml715rd20 |
| IUPAC Name | 1-[4-(2-methylpropyl)phenyl]ethanone |
| InChI Key | KEAGRYYGYWZVPC-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
2-Propylcyclohexanol (cis- and trans- mixture) 90.0+%, TCI America™
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CAS: 90676-25-8 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.24 MDL Number: MFCD00019331 InChI Key: VZBNUCDUQJCIDP-UHFFFAOYNA-N PubChem CID: 138614 IUPAC Name: 2-propylcyclohexan-1-ol SMILES: CCCC1CCCCC1O
| PubChem CID | 138614 |
|---|---|
| CAS | 90676-25-8 |
| Molecular Weight (g/mol) | 142.24 |
| MDL Number | MFCD00019331 |
| SMILES | CCCC1CCCCC1O |
| IUPAC Name | 2-propylcyclohexan-1-ol |
| InChI Key | VZBNUCDUQJCIDP-UHFFFAOYNA-N |
| Molecular Formula | C9H18O |
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine 98.0+%, TCI America™
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CAS: 113583-35-0 Molecular Formula: C7H10N2O4S Molecular Weight (g/mol): 218.23 MDL Number: MFCD00672151 InChI Key: ITDVJJVNAASTRS-UHFFFAOYSA-N Synonym: 4,6-dimethoxy-2-methylsulfonyl pyrimidine,2-methanesulfonyl-4,6-dimethoxypyrimidine,2-methylsulfonyl-4,6-dimethoxypyrimidine,2-methylsulfony-4,6-dimethoxypyridine,4,6-dimethoxy-2-methylsulfonyl-pyrimidine,2-methanesulfonyl-4,6-dimethoxy-pyrimidine,4,6-dimethoxy-2-methylsulphonyl pyrimidine,pyrimidine, 4,6-dimethoxy-2-methylsulfonyl,pubchem23351,maybridge1_008822 PubChem CID: 838363 IUPAC Name: 2-methanesulfonyl-4,6-dimethoxypyrimidine SMILES: COC1=CC(OC)=NC(=N1)S(C)(=O)=O
| PubChem CID | 838363 |
|---|---|
| CAS | 113583-35-0 |
| Molecular Weight (g/mol) | 218.23 |
| MDL Number | MFCD00672151 |
| SMILES | COC1=CC(OC)=NC(=N1)S(C)(=O)=O |
| Synonym | 4,6-dimethoxy-2-methylsulfonyl pyrimidine,2-methanesulfonyl-4,6-dimethoxypyrimidine,2-methylsulfonyl-4,6-dimethoxypyrimidine,2-methylsulfony-4,6-dimethoxypyridine,4,6-dimethoxy-2-methylsulfonyl-pyrimidine,2-methanesulfonyl-4,6-dimethoxy-pyrimidine,4,6-dimethoxy-2-methylsulphonyl pyrimidine,pyrimidine, 4,6-dimethoxy-2-methylsulfonyl,pubchem23351,maybridge1_008822 |
| IUPAC Name | 2-methanesulfonyl-4,6-dimethoxypyrimidine |
| InChI Key | ITDVJJVNAASTRS-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O4S |
trans-4-Amino-1-adamantanol Hydrochloride 98.0+%, TCI America™
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CAS: 62075-23-4 Molecular Formula: C10H18ClNO Molecular Weight (g/mol): 203.71 MDL Number: MFCD11099880 InChI Key: KWEPNQFVPHYHHO-VSLJLWNASA-N Synonym: trans-1-Amino-4-hydroxyadamantane Hydrochloride PubChem CID: 45489843 IUPAC Name: (3S)-4-aminoadamantan-1-ol;hydrochloride SMILES: C1C2CC3CC(C2)(CC1C3N)O.Cl
| PubChem CID | 45489843 |
|---|---|
| CAS | 62075-23-4 |
| Molecular Weight (g/mol) | 203.71 |
| MDL Number | MFCD11099880 |
| SMILES | C1C2CC3CC(C2)(CC1C3N)O.Cl |
| Synonym | trans-1-Amino-4-hydroxyadamantane Hydrochloride |
| IUPAC Name | (3S)-4-aminoadamantan-1-ol;hydrochloride |
| InChI Key | KWEPNQFVPHYHHO-VSLJLWNASA-N |
| Molecular Formula | C10H18ClNO |
2,3-Dimethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 86-51-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00003309 InChI Key: JIVGSHFYXPRRSZ-UHFFFAOYSA-N Synonym: o-veratraldehyde,benzaldehyde, 2,3-dimethoxy,unii-8alp3sy00l,2,3-dimethoxy-benzaldehyde,8alp3sy00l,benzaldehyde,3-dimethoxy,dimethoxybenzaldehyde,pubchem8216,benzaldehyde, dimethoxy,upcmld00wstructure66 PubChem CID: 66581 IUPAC Name: 2,3-dimethoxybenzaldehyde SMILES: COC1=CC=CC(=C1OC)C=O
| PubChem CID | 66581 |
|---|---|
| CAS | 86-51-1 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00003309 |
| SMILES | COC1=CC=CC(=C1OC)C=O |
| Synonym | o-veratraldehyde,benzaldehyde, 2,3-dimethoxy,unii-8alp3sy00l,2,3-dimethoxy-benzaldehyde,8alp3sy00l,benzaldehyde,3-dimethoxy,dimethoxybenzaldehyde,pubchem8216,benzaldehyde, dimethoxy,upcmld00wstructure66 |
| IUPAC Name | 2,3-dimethoxybenzaldehyde |
| InChI Key | JIVGSHFYXPRRSZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
3',5'-Dichloro-2,2,2-trifluoroacetophenone 96.0+%, TCI America™
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CAS: 130336-16-2 Molecular Formula: C8H3Cl2F3O Molecular Weight (g/mol): 243.006 MDL Number: MFCD01319996 InChI Key: DZDSQRPDUCSOQV-UHFFFAOYSA-N PubChem CID: 2758231 IUPAC Name: 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)(F)F
| PubChem CID | 2758231 |
|---|---|
| CAS | 130336-16-2 |
| Molecular Weight (g/mol) | 243.006 |
| MDL Number | MFCD01319996 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)(F)F |
| IUPAC Name | 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone |
| InChI Key | DZDSQRPDUCSOQV-UHFFFAOYSA-N |
| Molecular Formula | C8H3Cl2F3O |
trans-4-Propylcyclohexanol 95.0+%, TCI America™
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CAS: 77866-58-1 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.24 MDL Number: MFCD00091618,MFCD11114411 InChI Key: YVPZFPKENDZQEJ-UHFFFAOYSA-N PubChem CID: 2775094 IUPAC Name: 4-propylcyclohexan-1-ol SMILES: CCCC1CCC(O)CC1
| PubChem CID | 2775094 |
|---|---|
| CAS | 77866-58-1 |
| Molecular Weight (g/mol) | 142.24 |
| MDL Number | MFCD00091618,MFCD11114411 |
| SMILES | CCCC1CCC(O)CC1 |
| IUPAC Name | 4-propylcyclohexan-1-ol |
| InChI Key | YVPZFPKENDZQEJ-UHFFFAOYSA-N |
| Molecular Formula | C9H18O |
2-Pentyn-1-ol 98.0+%, TCI America™
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CAS: 6261-22-9 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00040915 InChI Key: WLPYSOCRPHTIDZ-UHFFFAOYSA-N Synonym: 2-pentyn-1-ol,2-pentyne-1-ol,2-pentynol,zlchem 1280,pubchem13063,acmc-209n5w,ksc357i0r,2-pentyn-1-01 PubChem CID: 80421 IUPAC Name: pent-2-yn-1-ol SMILES: CCC#CCO
| PubChem CID | 80421 |
|---|---|
| CAS | 6261-22-9 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00040915 |
| SMILES | CCC#CCO |
| Synonym | 2-pentyn-1-ol,2-pentyne-1-ol,2-pentynol,zlchem 1280,pubchem13063,acmc-209n5w,ksc357i0r,2-pentyn-1-01 |
| IUPAC Name | pent-2-yn-1-ol |
| InChI Key | WLPYSOCRPHTIDZ-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
N,N-Dimethylacetoacetamide 97.0+%, TCI America™
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CAS: 2044-64-6 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.159 MDL Number: MFCD00038243 InChI Key: YPEWWOUWRRQBAX-UHFFFAOYSA-N Synonym: n,n-dimethylacetoacetamide,butanamide, n,n-dimethyl-3-oxo,n,n-dimethyl-3-oxobutyramide,acetylacetamide, n,n-dimethyl,unii-7e2l0oaa4k,acetoacetamide, n,n-dimethyl,dimethylamid kyseliny acetoctove,dimethyl acetoacetamide,n,n-dimethyl acetoacetamide,nn-dimethylacetoacetamide PubChem CID: 16278 IUPAC Name: N,N-dimethyl-3-oxobutanamide SMILES: CC(=O)CC(=O)N(C)C
| PubChem CID | 16278 |
|---|---|
| CAS | 2044-64-6 |
| Molecular Weight (g/mol) | 129.159 |
| MDL Number | MFCD00038243 |
| SMILES | CC(=O)CC(=O)N(C)C |
| Synonym | n,n-dimethylacetoacetamide,butanamide, n,n-dimethyl-3-oxo,n,n-dimethyl-3-oxobutyramide,acetylacetamide, n,n-dimethyl,unii-7e2l0oaa4k,acetoacetamide, n,n-dimethyl,dimethylamid kyseliny acetoctove,dimethyl acetoacetamide,n,n-dimethyl acetoacetamide,nn-dimethylacetoacetamide |
| IUPAC Name | N,N-dimethyl-3-oxobutanamide |
| InChI Key | YPEWWOUWRRQBAX-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO2 |