Organooxygen compounds
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1,3-Indanedione, 97%
CAS: 606-23-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 InChI Key: UHKAJLSKXBADFT-UHFFFAOYSA-N Synonym: 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g PubChem CID: 11815 ChEBI: CHEBI:78877 IUPAC Name: indene-1,3-dione SMILES: C1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 11815 |
|---|---|
| CAS | 606-23-5 |
| Molecular Weight (g/mol) | 146.15 |
| ChEBI | CHEBI:78877 |
| SMILES | C1C(=O)C2=CC=CC=C2C1=O |
| Synonym | 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g |
| IUPAC Name | indene-1,3-dione |
| InChI Key | UHKAJLSKXBADFT-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
1-Indanone, 99+%
CAS: 83-33-0 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 MDL Number: MFCD00003785 InChI Key: QNXSIUBBGPHDDE-UHFFFAOYSA-N Synonym: 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone PubChem CID: 6735 ChEBI: CHEBI:17404 IUPAC Name: 2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=CC=CC=C21
| PubChem CID | 6735 |
|---|---|
| CAS | 83-33-0 |
| Molecular Weight (g/mol) | 132.162 |
| ChEBI | CHEBI:17404 |
| MDL Number | MFCD00003785 |
| SMILES | C1CC(=O)C2=CC=CC=C21 |
| Synonym | 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone |
| IUPAC Name | 2,3-dihydroinden-1-one |
| InChI Key | QNXSIUBBGPHDDE-UHFFFAOYSA-N |
| Molecular Formula | C9H8O |
4,5-Diazafluoren-9-one, 98%
CAS: 50890-67-0 Molecular Formula: C11H6N2O Molecular Weight (g/mol): 182.182 MDL Number: MFCD00046892 InChI Key: PFMTUGNLBQSHQC-UHFFFAOYSA-N Synonym: 4,5-diazafluoren-9-one,5h-cyclopenta 1,2-b:5,4-b' dipyridin-5-one,5h-cyclopenta 2,1-b:3,4-b' dipyridin-5-one,5h-pyrido 3',2':4,5 cyclopenta 1,2-b pyridin-5-one,pyridino 3',2'-1,2 cyclopenta 3,4-b pyridin-5-one,dafone,dafo,4,5-diazafluorenone-0,4,5-diaza-9h-fluoren-9-one PubChem CID: 342157 SMILES: C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1
| PubChem CID | 342157 |
|---|---|
| CAS | 50890-67-0 |
| Molecular Weight (g/mol) | 182.182 |
| MDL Number | MFCD00046892 |
| SMILES | C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1 |
| Synonym | 4,5-diazafluoren-9-one,5h-cyclopenta 1,2-b:5,4-b' dipyridin-5-one,5h-cyclopenta 2,1-b:3,4-b' dipyridin-5-one,5h-pyrido 3',2':4,5 cyclopenta 1,2-b pyridin-5-one,pyridino 3',2'-1,2 cyclopenta 3,4-b pyridin-5-one,dafone,dafo,4,5-diazafluorenone-0,4,5-diaza-9h-fluoren-9-one |
| InChI Key | PFMTUGNLBQSHQC-UHFFFAOYSA-N |
| Molecular Formula | C11H6N2O |
Ethyl 2-acetyl-3-(dimethylamino)acrylate, 95%, Thermo Scientific Chemicals
CAS: 51145-57-4 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.223 MDL Number: MFCD00087563 InChI Key: LQSOVGAUOHMPLK-SOFGYWHQSA-N PubChem CID: 2763877 IUPAC Name: ethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate SMILES: CCOC(=O)C(=CN(C)C)C(=O)C
| PubChem CID | 2763877 |
|---|---|
| CAS | 51145-57-4 |
| Molecular Weight (g/mol) | 185.223 |
| MDL Number | MFCD00087563 |
| SMILES | CCOC(=O)C(=CN(C)C)C(=O)C |
| IUPAC Name | ethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate |
| InChI Key | LQSOVGAUOHMPLK-SOFGYWHQSA-N |
| Molecular Formula | C9H15NO3 |
Thiazole-2-carboxaldehyde, 95%
CAS: 10200-59-6 Molecular Formula: C4H3NOS Molecular Weight (g/mol): 113.134 MDL Number: MFCD00142924 InChI Key: ZGTFNNUASMWGTM-UHFFFAOYSA-N Synonym: 2-thiazolecarboxaldehyde,thiazole-2-carbaldehyde,2-formylthiazole,thiazole-2-carboxaldehyde,2-formyl thiazole,thiazolecarboxaldehyde,2-formyl-1,3-thiazole,1,3-thiazole-2-carboxaldehyde,2-thiazolecarbaldehyde,pubchem9929 PubChem CID: 2734903 ChEBI: CHEBI:43623 IUPAC Name: 1,3-thiazole-2-carbaldehyde SMILES: C1=CSC(=N1)C=O
| PubChem CID | 2734903 |
|---|---|
| CAS | 10200-59-6 |
| Molecular Weight (g/mol) | 113.134 |
| ChEBI | CHEBI:43623 |
| MDL Number | MFCD00142924 |
| SMILES | C1=CSC(=N1)C=O |
| Synonym | 2-thiazolecarboxaldehyde,thiazole-2-carbaldehyde,2-formylthiazole,thiazole-2-carboxaldehyde,2-formyl thiazole,thiazolecarboxaldehyde,2-formyl-1,3-thiazole,1,3-thiazole-2-carboxaldehyde,2-thiazolecarbaldehyde,pubchem9929 |
| IUPAC Name | 1,3-thiazole-2-carbaldehyde |
| InChI Key | ZGTFNNUASMWGTM-UHFFFAOYSA-N |
| Molecular Formula | C4H3NOS |
Isovanillin, Spectrum™ Chemical
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CAS: 621-59-0
| CAS | 621-59-0 |
|---|
3-Methyl-5-hexen-3-ol, 98%
CAS: 1569-44-4 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00021826 InChI Key: GBARKLJMQRUBKV-UHFFFAOYNA-N Synonym: 3-methyl-5-hexen-3-ol,methylaethylallylcarbinol,methylethylallylcarbinol,5-hexen-3-ol, 3-methyl,methylaethylallylcarbinol german,5-hexen-3-ol, 3-methyl-, 3r,acmc-20m3dr,acmc-1bx1u,3-methyl-5-hexene-3-ol PubChem CID: 15288 IUPAC Name: 3-methylhex-5-en-3-ol SMILES: CCC(C)(O)CC=C
| PubChem CID | 15288 |
|---|---|
| CAS | 1569-44-4 |
| Molecular Weight (g/mol) | 114.19 |
| MDL Number | MFCD00021826 |
| SMILES | CCC(C)(O)CC=C |
| Synonym | 3-methyl-5-hexen-3-ol,methylaethylallylcarbinol,methylethylallylcarbinol,5-hexen-3-ol, 3-methyl,methylaethylallylcarbinol german,5-hexen-3-ol, 3-methyl-, 3r,acmc-20m3dr,acmc-1bx1u,3-methyl-5-hexene-3-ol |
| IUPAC Name | 3-methylhex-5-en-3-ol |
| InChI Key | GBARKLJMQRUBKV-UHFFFAOYNA-N |
| Molecular Formula | C7H14O |
6-(tetrahydropyran-4-yloxy)pyridine-2-carbaldehyde, Thermo Scientific™
CAS: 898289-54-8 Molecular Formula: C11H13NO3 Molecular Weight (g/mol): 207.229 InChI Key: SBTGZJPHUYLRRU-UHFFFAOYSA-N Synonym: 6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yl oxy pyridine-2-carbaldehyde,6-tetrahydro-2h-pyran-4-yl oxy picolinaldehyde,6-2h-3,4,5,6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde PubChem CID: 45594294 IUPAC Name: 6-(oxan-4-yloxy)pyridine-2-carbaldehyde SMILES: C1COCCC1OC2=CC=CC(=N2)C=O
| PubChem CID | 45594294 |
|---|---|
| CAS | 898289-54-8 |
| Molecular Weight (g/mol) | 207.229 |
| SMILES | C1COCCC1OC2=CC=CC(=N2)C=O |
| Synonym | 6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yl oxy pyridine-2-carbaldehyde,6-tetrahydro-2h-pyran-4-yl oxy picolinaldehyde,6-2h-3,4,5,6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde |
| IUPAC Name | 6-(oxan-4-yloxy)pyridine-2-carbaldehyde |
| InChI Key | SBTGZJPHUYLRRU-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO3 |
2'-Bromo-6'-fluoroacetophenone, 96%
CAS: 928715-37-1 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 InChI Key: ZTLLHQUYOLPVAR-UHFFFAOYSA-N Synonym: 1-2-bromo-6-fluorophenyl ethanone,2'-bromo-6'-fluoroacetophenone,1-2-bromo-6-fluorophenyl ethan-1-one,1-2-bromo-6-fluoro-phenyl ethanone,ethanone, 1-2-bromo-6-fluorophenyl PubChem CID: 66570680 IUPAC Name: 1-(2-bromo-6-fluorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1Br)F
| PubChem CID | 66570680 |
|---|---|
| CAS | 928715-37-1 |
| Molecular Weight (g/mol) | 217.037 |
| SMILES | CC(=O)C1=C(C=CC=C1Br)F |
| Synonym | 1-2-bromo-6-fluorophenyl ethanone,2'-bromo-6'-fluoroacetophenone,1-2-bromo-6-fluorophenyl ethan-1-one,1-2-bromo-6-fluoro-phenyl ethanone,ethanone, 1-2-bromo-6-fluorophenyl |
| IUPAC Name | 1-(2-bromo-6-fluorophenyl)ethanone |
| InChI Key | ZTLLHQUYOLPVAR-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
3-Phenyl-2-propyn-1-ol, 98+%
CAS: 1504-58-1 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 MDL Number: MFCD00040914 InChI Key: NITUNGCLDSFVDL-UHFFFAOYSA-N Synonym: 3-phenyl-2-propyn-1-ol,2-propyn-1-ol, 3-phenyl,3-phenyl-prop-2-yn-1-ol,1-hydroxymethyl-2-phenylacetylene,1-phenyl-1-propyn-3-ol,pubchem13580,3-phenyl-2-propyn1-ol,3-phenylpropargyl alcohol,acmc-1bs1u,1-phenyl-propyn-3-ol PubChem CID: 123115 IUPAC Name: 3-phenylprop-2-yn-1-ol SMILES: C1=CC=C(C=C1)C#CCO
| PubChem CID | 123115 |
|---|---|
| CAS | 1504-58-1 |
| Molecular Weight (g/mol) | 132.162 |
| MDL Number | MFCD00040914 |
| SMILES | C1=CC=C(C=C1)C#CCO |
| Synonym | 3-phenyl-2-propyn-1-ol,2-propyn-1-ol, 3-phenyl,3-phenyl-prop-2-yn-1-ol,1-hydroxymethyl-2-phenylacetylene,1-phenyl-1-propyn-3-ol,pubchem13580,3-phenyl-2-propyn1-ol,3-phenylpropargyl alcohol,acmc-1bs1u,1-phenyl-propyn-3-ol |
| IUPAC Name | 3-phenylprop-2-yn-1-ol |
| InChI Key | NITUNGCLDSFVDL-UHFFFAOYSA-N |
| Molecular Formula | C9H8O |
3-Buten-1-ol, Spectrum™ Chemical
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CAS: 627-27-0
| CAS | 627-27-0 |
|---|
2,3-Dihydrobenzo[b]furan-5-carboxaldehyde, 97%
CAS: 55745-70-5 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00068058 InChI Key: WEBVDBDZSOJGPB-UHFFFAOYSA-N Synonym: 2,3-dihydrobenzofuran-5-carboxaldehyde,2,3-dihydrobenzo b furan-5-carbaldehyde,2,3-dihydrobenzofuran-5-carbaldehyde,2,3-dihydrobenzo b furan-5-carboxaldehyde,2,3-dihyro-1-benzofuran-5-carbaldehyde,2,3-dihydro-benzofuran-5-carbaldehyde,5-coumarancarboxaldehyde,2,3-dihydro-5-benzofurancarboxaldehyde,5-benzofurancarboxaldehyde, 2,3-dihydro,2,3-dihydro-5-benzofurancarbaldehyde PubChem CID: 735901 IUPAC Name: 2,3-dihydro-1-benzofuran-5-carbaldehyde SMILES: O=CC1=CC=C2OCCC2=C1
| PubChem CID | 735901 |
|---|---|
| CAS | 55745-70-5 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00068058 |
| SMILES | O=CC1=CC=C2OCCC2=C1 |
| Synonym | 2,3-dihydrobenzofuran-5-carboxaldehyde,2,3-dihydrobenzo b furan-5-carbaldehyde,2,3-dihydrobenzofuran-5-carbaldehyde,2,3-dihydrobenzo b furan-5-carboxaldehyde,2,3-dihyro-1-benzofuran-5-carbaldehyde,2,3-dihydro-benzofuran-5-carbaldehyde,5-coumarancarboxaldehyde,2,3-dihydro-5-benzofurancarboxaldehyde,5-benzofurancarboxaldehyde, 2,3-dihydro,2,3-dihydro-5-benzofurancarbaldehyde |
| IUPAC Name | 2,3-dihydro-1-benzofuran-5-carbaldehyde |
| InChI Key | WEBVDBDZSOJGPB-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
Spectrum Chemical Manufacturing Corporation Ascorbic Acid, USP, 99-100.5%, Spectrum™ Chemical
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CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| CAS | 50-81-7 |
|---|---|
| Molecular Weight (g/mol) | 176.12 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| IUPAC Name | (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
Ascorbic Acid, Crystalline Powder, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| CAS | 50-81-7 |
|---|---|
| Molecular Weight (g/mol) | 176.12 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| IUPAC Name | (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
Bromopyruvic acid, 97%
CAS: 1113-59-3 Molecular Formula: C3H3BrO3 Molecular Weight (g/mol): 166.958 MDL Number: MFCD00002587 InChI Key: PRRZDZJYSJLDBS-UHFFFAOYSA-N Synonym: 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid PubChem CID: 70684 IUPAC Name: 3-bromo-2-oxopropanoic acid SMILES: C(C(=O)C(=O)O)Br
| PubChem CID | 70684 |
|---|---|
| CAS | 1113-59-3 |
| Molecular Weight (g/mol) | 166.958 |
| MDL Number | MFCD00002587 |
| SMILES | C(C(=O)C(=O)O)Br |
| Synonym | 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid |
| IUPAC Name | 3-bromo-2-oxopropanoic acid |
| InChI Key | PRRZDZJYSJLDBS-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrO3 |