Organooxygen compounds
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5-Nitroisatin 98.0+%, TCI America™
CAS: 611-09-6 Molecular Formula: C8H4N2O4 Molecular Weight (g/mol): 192.13 MDL Number: MFCD00005720 InChI Key: UNMYHYODJHKLOC-UHFFFAOYSA-N Synonym: 5-nitroisatin,5-nitroindoline-2,3-dione,5-nitroindole-2,3-dione,1h-indole-2,3-dione, 5-nitro,indole-2,3-dione, 5-nitro,isatin, 5-nitro,n-nitroisatin,ccris 4031,2,3-dihydro-5-nitroindole-2,3-dione,5-nitro-2,3-dihydro-1h-indole-2,3-dione PubChem CID: 4669250 IUPAC Name: 5-nitro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2
| PubChem CID | 4669250 |
|---|---|
| CAS | 611-09-6 |
| Molecular Weight (g/mol) | 192.13 |
| MDL Number | MFCD00005720 |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2 |
| Synonym | 5-nitroisatin,5-nitroindoline-2,3-dione,5-nitroindole-2,3-dione,1h-indole-2,3-dione, 5-nitro,indole-2,3-dione, 5-nitro,isatin, 5-nitro,n-nitroisatin,ccris 4031,2,3-dihydro-5-nitroindole-2,3-dione,5-nitro-2,3-dihydro-1h-indole-2,3-dione |
| IUPAC Name | 5-nitro-1H-indole-2,3-dione |
| InChI Key | UNMYHYODJHKLOC-UHFFFAOYSA-N |
| Molecular Formula | C8H4N2O4 |
4-Nitrobenzyl Acetoacetate 98.0+%, TCI America™
CAS: 61312-84-3 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.211 MDL Number: MFCD00799237 InChI Key: KQPGVCMZXFBYMM-UHFFFAOYSA-N Synonym: Acetoacetic Acid 4-Nitrobenzyl Ester PubChem CID: 2760918 IUPAC Name: (4-nitrophenyl)methyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 2760918 |
|---|---|
| CAS | 61312-84-3 |
| Molecular Weight (g/mol) | 237.211 |
| MDL Number | MFCD00799237 |
| SMILES | CC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | Acetoacetic Acid 4-Nitrobenzyl Ester |
| IUPAC Name | (4-nitrophenyl)methyl 3-oxobutanoate |
| InChI Key | KQPGVCMZXFBYMM-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO5 |
trans,cis-2,6-Nonadienal 95.0+%, TCI America™
CAS: 557-48-2 Molecular Formula: C9H14O Molecular Weight (g/mol): 138.21 MDL Number: MFCD00007009 InChI Key: HZYHMHHBBBSGHB-ODYTWBPASA-N Synonym: trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal PubChem CID: 643731 ChEBI: CHEBI:7610 IUPAC Name: (2E,6Z)-nona-2,6-dienal SMILES: CCC=CCCC=CC=O
| PubChem CID | 643731 |
|---|---|
| CAS | 557-48-2 |
| Molecular Weight (g/mol) | 138.21 |
| ChEBI | CHEBI:7610 |
| MDL Number | MFCD00007009 |
| SMILES | CCC=CCCC=CC=O |
| Synonym | trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal |
| IUPAC Name | (2E,6Z)-nona-2,6-dienal |
| InChI Key | HZYHMHHBBBSGHB-ODYTWBPASA-N |
| Molecular Formula | C9H14O |
Ethyl (4-Nitrobenzoyl)acetate 98.0+%, TCI America™
CAS: 838-57-3 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.211 MDL Number: MFCD00007357 InChI Key: NGRXSVFCLHVGKU-UHFFFAOYSA-N Synonym: ethyl 4-nitrobenzoylacetate,ethyl 3-4-nitrophenyl-3-oxopropanoate,ethyl p-nitrobenzoyl acetate,ethyl 4-nitrobenzoyl acetate,p-nitrobenzoyl acetic acid ethyl ester,ethyl p-nitrobenzoylacetate,4-nitrobenzoylacetic acid ethyl ester,ethyl 4-nitro-beta-oxobenzenepropanoate,4-nitrobenzoyl acetic acid ethyl ester,benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester PubChem CID: 13281 IUPAC Name: ethyl 3-(4-nitrophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 13281 |
|---|---|
| CAS | 838-57-3 |
| Molecular Weight (g/mol) | 237.211 |
| MDL Number | MFCD00007357 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | ethyl 4-nitrobenzoylacetate,ethyl 3-4-nitrophenyl-3-oxopropanoate,ethyl p-nitrobenzoyl acetate,ethyl 4-nitrobenzoyl acetate,p-nitrobenzoyl acetic acid ethyl ester,ethyl p-nitrobenzoylacetate,4-nitrobenzoylacetic acid ethyl ester,ethyl 4-nitro-beta-oxobenzenepropanoate,4-nitrobenzoyl acetic acid ethyl ester,benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester |
| IUPAC Name | ethyl 3-(4-nitrophenyl)-3-oxopropanoate |
| InChI Key | NGRXSVFCLHVGKU-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO5 |
trans-2-Nonenal (contains trans-2-Nonenal Diethyl Acetal) (ca. 10% in Ethanol, ca. 0.57mol/L), TCI America™
CAS: 18829-56-6 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.226 MDL Number: MFCD00007012 InChI Key: BSAIUMLZVGUGKX-BQYQJAHWSA-N Synonym: trans-2-nonenal,2-nonenal,e-2-nonenal,e-non-2-enal,3-hexylacrolein,2-nonenal, 2e,beta-hexylacrolein,2-nonenal, e,heptylideneacetaldehyde,alpha-nonenyl aldehyde PubChem CID: 5283335 IUPAC Name: (E)-non-2-enal SMILES: CCCCCCC=CC=O
| PubChem CID | 5283335 |
|---|---|
| CAS | 18829-56-6 |
| Molecular Weight (g/mol) | 140.226 |
| MDL Number | MFCD00007012 |
| SMILES | CCCCCCC=CC=O |
| Synonym | trans-2-nonenal,2-nonenal,e-2-nonenal,e-non-2-enal,3-hexylacrolein,2-nonenal, 2e,beta-hexylacrolein,2-nonenal, e,heptylideneacetaldehyde,alpha-nonenyl aldehyde |
| IUPAC Name | (E)-non-2-enal |
| InChI Key | BSAIUMLZVGUGKX-BQYQJAHWSA-N |
| Molecular Formula | C9H16O |
Isopropyl Acetoacetate 97.0+%, TCI America™
CAS: 542-08-5 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00043933 InChI Key: GVIIRWAJDFKJMJ-UHFFFAOYSA-N Synonym: isopropyl acetoacetate,isopropyl 3-oxobutanoate,acetoacetic acid isopropyl ester,butanoic acid, 3-oxo-, 1-methylethyl ester,unii-38gtb2c6xc,38gtb2c6xc,methylethyl 3-oxobutanoate,acip,isopropyl acetylacetate,isopropyl 3-oxobutyrate PubChem CID: 68329 IUPAC Name: propan-2-yl 3-oxobutanoate SMILES: CC(C)OC(=O)CC(=O)C
| PubChem CID | 68329 |
|---|---|
| CAS | 542-08-5 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00043933 |
| SMILES | CC(C)OC(=O)CC(=O)C |
| Synonym | isopropyl acetoacetate,isopropyl 3-oxobutanoate,acetoacetic acid isopropyl ester,butanoic acid, 3-oxo-, 1-methylethyl ester,unii-38gtb2c6xc,38gtb2c6xc,methylethyl 3-oxobutanoate,acip,isopropyl acetylacetate,isopropyl 3-oxobutyrate |
| IUPAC Name | propan-2-yl 3-oxobutanoate |
| InChI Key | GVIIRWAJDFKJMJ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Isoquinoline-5-carboxaldehyde 98.0+%, TCI America™
CAS: 80278-67-7 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD03412483 InChI Key: ILRSABOCKMOFGW-UHFFFAOYSA-N Synonym: 5-isoquinolinecarboxaldehyde,isoquinoline-5-carboxaldehyde,5-formylisoquinoline,ksc447q7n,5-isoquinolinecarbaldehyde,5-isoquinolinecarboxaldehyde 6ci,9ci PubChem CID: 7016853 IUPAC Name: isoquinoline-5-carbaldehyde SMILES: C1=CC2=C(C=CN=C2)C(=C1)C=O
| PubChem CID | 7016853 |
|---|---|
| CAS | 80278-67-7 |
| Molecular Weight (g/mol) | 157.172 |
| MDL Number | MFCD03412483 |
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)C=O |
| Synonym | 5-isoquinolinecarboxaldehyde,isoquinoline-5-carboxaldehyde,5-formylisoquinoline,ksc447q7n,5-isoquinolinecarbaldehyde,5-isoquinolinecarboxaldehyde 6ci,9ci |
| IUPAC Name | isoquinoline-5-carbaldehyde |
| InChI Key | ILRSABOCKMOFGW-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
Imidazole-2-carboxaldehyde 98.0+%, TCI America™
CAS: 10111-08-7 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003544 InChI Key: XYHKNCXZYYTLRG-UHFFFAOYSA-N Synonym: imidazole-2-carboxaldehyde,2-formylimidazole,1h-imidazole-2-carboxaldehyde,imidazole-2-carbaldehyde,2-imidazolecarboxaldehyde,imidazole-2-aldehyde,1h-imidazolecarboxaldehyde,2-formyl imidazole,imidazol-2-carbaldehyde,2-formyl-1h-imidazole PubChem CID: 24955 IUPAC Name: 1H-imidazole-2-carbaldehyde SMILES: O=CC1=NC=CN1
| PubChem CID | 24955 |
|---|---|
| CAS | 10111-08-7 |
| Molecular Weight (g/mol) | 96.09 |
| MDL Number | MFCD00003544 |
| SMILES | O=CC1=NC=CN1 |
| Synonym | imidazole-2-carboxaldehyde,2-formylimidazole,1h-imidazole-2-carboxaldehyde,imidazole-2-carbaldehyde,2-imidazolecarboxaldehyde,imidazole-2-aldehyde,1h-imidazolecarboxaldehyde,2-formyl imidazole,imidazol-2-carbaldehyde,2-formyl-1h-imidazole |
| IUPAC Name | 1H-imidazole-2-carbaldehyde |
| InChI Key | XYHKNCXZYYTLRG-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O |
2-Chloro-1,1,2-trifluoroethyl Methyl Ether 99.0+%, TCI America™
CAS: 425-87-6 Molecular Formula: C3H4ClF3O Molecular Weight (g/mol): 148.509 MDL Number: MFCD00039335 InChI Key: KKXBMWAROXAWSZ-UHFFFAOYSA-N PubChem CID: 9877 IUPAC Name: 2-chloro-1,1,2-trifluoro-1-methoxyethane SMILES: COC(C(F)Cl)(F)F
| PubChem CID | 9877 |
|---|---|
| CAS | 425-87-6 |
| Molecular Weight (g/mol) | 148.509 |
| MDL Number | MFCD00039335 |
| SMILES | COC(C(F)Cl)(F)F |
| IUPAC Name | 2-chloro-1,1,2-trifluoro-1-methoxyethane |
| InChI Key | KKXBMWAROXAWSZ-UHFFFAOYSA-N |
| Molecular Formula | C3H4ClF3O |
Cyclopentyl Phenyl Ketone 98.0+%, TCI America™
CAS: 5422-88-8 Molecular Formula: C12H14O Molecular Weight (g/mol): 174.24 MDL Number: MFCD00001378 InChI Key: VYDIMQRLNMMJBW-UHFFFAOYSA-N Synonym: cyclopentyl phenyl ketone,cyclopentyl phenyl methanone,benzoylcyclopentane,methanone, cyclopentylphenyl,ketone, cyclopentyl phenyl,cyclopentyl-phenyl-methanone,cyclopentylphenylketone,acmc-209leg,phenyl cyclopentyl ketone,cyclopentanylphenylmethanone PubChem CID: 79464 IUPAC Name: cyclopentyl(phenyl)methanone SMILES: O=C(C1CCCC1)C1=CC=CC=C1
| PubChem CID | 79464 |
|---|---|
| CAS | 5422-88-8 |
| Molecular Weight (g/mol) | 174.24 |
| MDL Number | MFCD00001378 |
| SMILES | O=C(C1CCCC1)C1=CC=CC=C1 |
| Synonym | cyclopentyl phenyl ketone,cyclopentyl phenyl methanone,benzoylcyclopentane,methanone, cyclopentylphenyl,ketone, cyclopentyl phenyl,cyclopentyl-phenyl-methanone,cyclopentylphenylketone,acmc-209leg,phenyl cyclopentyl ketone,cyclopentanylphenylmethanone |
| IUPAC Name | cyclopentyl(phenyl)methanone |
| InChI Key | VYDIMQRLNMMJBW-UHFFFAOYSA-N |
| Molecular Formula | C12H14O |
Cyclopentylmalonic Acid 98.0+%, TCI America™
CAS: 5660-81-1 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00059515 InChI Key: DRHLPIHNSBNMFF-UHFFFAOYSA-N PubChem CID: 231700 IUPAC Name: 2-cyclopentylpropanedioic acid SMILES: C1CCC(C1)C(C(=O)O)C(=O)O
| PubChem CID | 231700 |
|---|---|
| CAS | 5660-81-1 |
| Molecular Weight (g/mol) | 172.18 |
| MDL Number | MFCD00059515 |
| SMILES | C1CCC(C1)C(C(=O)O)C(=O)O |
| IUPAC Name | 2-cyclopentylpropanedioic acid |
| InChI Key | DRHLPIHNSBNMFF-UHFFFAOYSA-N |
| Molecular Formula | C8H12O4 |
2-Chloro-6-ethoxypyridine 97.0+%, TCI America™
CAS: 42144-78-5 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.597 MDL Number: MFCD00023465 InChI Key: AMSLPXHLKHZWBJ-UHFFFAOYSA-N Synonym: pyridine, 2-chloro-6-ethoxy,acmc-209jns,6-chloro-2-ethoxypyridine,2-chloro-6-ethoxypyridine,2-chloro-6-ethoxy-pyridine,pyridine,2-chloro-6-ethoxy,2-chloranyl-6-ethoxy-pyridine PubChem CID: 98563 IUPAC Name: 2-chloro-6-ethoxypyridine SMILES: CCOC1=NC(=CC=C1)Cl
| PubChem CID | 98563 |
|---|---|
| CAS | 42144-78-5 |
| Molecular Weight (g/mol) | 157.597 |
| MDL Number | MFCD00023465 |
| SMILES | CCOC1=NC(=CC=C1)Cl |
| Synonym | pyridine, 2-chloro-6-ethoxy,acmc-209jns,6-chloro-2-ethoxypyridine,2-chloro-6-ethoxypyridine,2-chloro-6-ethoxy-pyridine,pyridine,2-chloro-6-ethoxy,2-chloranyl-6-ethoxy-pyridine |
| IUPAC Name | 2-chloro-6-ethoxypyridine |
| InChI Key | AMSLPXHLKHZWBJ-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClNO |
5-Chloro-1-indanone 97.0+%, TCI America™
CAS: 42348-86-7 Molecular Formula: C9H7ClO Molecular Weight (g/mol): 166.60 MDL Number: MFCD00041456 InChI Key: MEDSHTHCZIOVPU-UHFFFAOYSA-N Synonym: 5-chloro-1-indanone,5-chloro-2,3-dihydro-1h-inden-1-one,5-chloroindan-1-one,5-chloro-indan-1-one,1h-inden-1-one, 5-chloro-2,3-dihydro,5-chloroindanone,5-chloroindone,pubchem2250,1-indanone, 5-chloro,5-chloro indanone PubChem CID: 142599 IUPAC Name: 5-chloro-2,3-dihydro-1H-inden-1-one SMILES: ClC1=CC=C2C(=O)CCC2=C1
| PubChem CID | 142599 |
|---|---|
| CAS | 42348-86-7 |
| Molecular Weight (g/mol) | 166.60 |
| MDL Number | MFCD00041456 |
| SMILES | ClC1=CC=C2C(=O)CCC2=C1 |
| Synonym | 5-chloro-1-indanone,5-chloro-2,3-dihydro-1h-inden-1-one,5-chloroindan-1-one,5-chloro-indan-1-one,1h-inden-1-one, 5-chloro-2,3-dihydro,5-chloroindanone,5-chloroindone,pubchem2250,1-indanone, 5-chloro,5-chloro indanone |
| IUPAC Name | 5-chloro-2,3-dihydro-1H-inden-1-one |
| InChI Key | MEDSHTHCZIOVPU-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClO |
4'-Chloro-2,2,2-trifluoroacetophenone 97.0+%, TCI America™
CAS: 321-37-9 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.564 MDL Number: MFCD00018686 InChI Key: DYPQUENOGZXOGE-UHFFFAOYSA-N PubChem CID: 67578 IUPAC Name: 1-(4-chlorophenyl)-2,2,2-trifluoroethanone SMILES: C1=CC(=CC=C1C(=O)C(F)(F)F)Cl
| PubChem CID | 67578 |
|---|---|
| CAS | 321-37-9 |
| Molecular Weight (g/mol) | 208.564 |
| MDL Number | MFCD00018686 |
| SMILES | C1=CC(=CC=C1C(=O)C(F)(F)F)Cl |
| IUPAC Name | 1-(4-chlorophenyl)-2,2,2-trifluoroethanone |
| InChI Key | DYPQUENOGZXOGE-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClF3O |