Organooxygen compounds
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Ethoxyacetic Acid 98.0+%, TCI America™
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CAS: 627-03-2 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00004310 InChI Key: YZGQDNOIGFBYKF-UHFFFAOYSA-N Synonym: ethoxyacetic acid,acetic acid, ethoxy,ethoxy acetic acid,acetic acid, 2-ethoxy,ethoxy-acetic acid,unii-467vw095bx,o-ethylglycolic acid,ccris 7194,2-ethoxy-acetic acid,dsstox_cid_11294 PubChem CID: 12301 IUPAC Name: 2-ethoxyacetic acid SMILES: CCOCC(=O)O
| PubChem CID | 12301 |
|---|---|
| CAS | 627-03-2 |
| Molecular Weight (g/mol) | 104.105 |
| MDL Number | MFCD00004310 |
| SMILES | CCOCC(=O)O |
| Synonym | ethoxyacetic acid,acetic acid, ethoxy,ethoxy acetic acid,acetic acid, 2-ethoxy,ethoxy-acetic acid,unii-467vw095bx,o-ethylglycolic acid,ccris 7194,2-ethoxy-acetic acid,dsstox_cid_11294 |
| IUPAC Name | 2-ethoxyacetic acid |
| InChI Key | YZGQDNOIGFBYKF-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
1-Bromoanthraquinone 95.0+%, TCI America™
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CAS: 632-83-7 Molecular Formula: C14H7BrO2 Molecular Weight (g/mol): 287.112 InChI Key: CXTPIHZYOGDSLV-UHFFFAOYSA-N PubChem CID: 12444 IUPAC Name: 1-bromoanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Br
| PubChem CID | 12444 |
|---|---|
| CAS | 632-83-7 |
| Molecular Weight (g/mol) | 287.112 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Br |
| IUPAC Name | 1-bromoanthracene-9,10-dione |
| InChI Key | CXTPIHZYOGDSLV-UHFFFAOYSA-N |
| Molecular Formula | C14H7BrO2 |
Benzyl Acetoacetate 95.0+%, TCI America™
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CAS: 5396-89-4 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00008785 InChI Key: WOFAGNLBCJWEOE-UHFFFAOYSA-N Synonym: benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x PubChem CID: 142266 IUPAC Name: benzyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 142266 |
|---|---|
| CAS | 5396-89-4 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00008785 |
| SMILES | CC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x |
| IUPAC Name | benzyl 3-oxobutanoate |
| InChI Key | WOFAGNLBCJWEOE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
Tetrabutyl Orthotitanate, TCI America™
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CAS: 5593-70-4 Molecular Formula: C16H40O4Ti Molecular Weight (g/mol): 344.359 MDL Number: MFCD00009433 InChI Key: FPCJKVGGYOAWIZ-UHFFFAOYSA-N Synonym: butyl titanate,butan-1-ol; titanium,titanium n-butoxide,tetrabutyl orthotitanate,tetrabutyl titanate,1-butanol; titanium,tetra butyl orthotitanate,tetrabutyl ortho-titanate PubChem CID: 25203927 IUPAC Name: butan-1-ol;titanium SMILES: CCCCO.CCCCO.CCCCO.CCCCO.[Ti]
| PubChem CID | 25203927 |
|---|---|
| CAS | 5593-70-4 |
| Molecular Weight (g/mol) | 344.359 |
| MDL Number | MFCD00009433 |
| SMILES | CCCCO.CCCCO.CCCCO.CCCCO.[Ti] |
| Synonym | butyl titanate,butan-1-ol; titanium,titanium n-butoxide,tetrabutyl orthotitanate,tetrabutyl titanate,1-butanol; titanium,tetra butyl orthotitanate,tetrabutyl ortho-titanate |
| IUPAC Name | butan-1-ol;titanium |
| InChI Key | FPCJKVGGYOAWIZ-UHFFFAOYSA-N |
| Molecular Formula | C16H40O4Ti |
Bis(2-butoxyethyl) Adipate 97.0+%, TCI America™
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CAS: 141-18-4 Molecular Formula: C18H34O6 Molecular Weight (g/mol): 346.46 MDL Number: MFCD00053796 InChI Key: IHTSDBYPAZEUOP-UHFFFAOYSA-N Synonym: Adipic Acid Bis(2-butoxyethyl) Ester, Adipic Acid Di(2-butoxyethyl) Ester, Di(2-butoxyethyl) Adipate PubChem CID: 8837 IUPAC Name: 1,6-bis(2-butoxyethyl) hexanedioate SMILES: CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC
| PubChem CID | 8837 |
|---|---|
| CAS | 141-18-4 |
| Molecular Weight (g/mol) | 346.46 |
| MDL Number | MFCD00053796 |
| SMILES | CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC |
| Synonym | Adipic Acid Bis(2-butoxyethyl) Ester, Adipic Acid Di(2-butoxyethyl) Ester, Di(2-butoxyethyl) Adipate |
| IUPAC Name | 1,6-bis(2-butoxyethyl) hexanedioate |
| InChI Key | IHTSDBYPAZEUOP-UHFFFAOYSA-N |
| Molecular Formula | C18H34O6 |
6-Bromo-1-indanone 98.0+%, TCI America™
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CAS: 14548-39-1 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.058 MDL Number: MFCD02179286 InChI Key: SEQHEDQNODAFIU-UHFFFAOYSA-N Synonym: 6-bromo-1-indanone,6-bromoindanone,6-bromo-2,3-dihydro-1h-inden-1-one,6-bromo-indan-1-one,6-bromoindan-1-one,1-indanone, 6-bromo,1h-inden-1-one, 6-bromo-2,3-dihydro,6-bromo indanone,6-bromo-indanone PubChem CID: 139778 IUPAC Name: 6-bromo-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=CC(=C2)Br
| PubChem CID | 139778 |
|---|---|
| CAS | 14548-39-1 |
| Molecular Weight (g/mol) | 211.058 |
| MDL Number | MFCD02179286 |
| SMILES | C1CC(=O)C2=C1C=CC(=C2)Br |
| Synonym | 6-bromo-1-indanone,6-bromoindanone,6-bromo-2,3-dihydro-1h-inden-1-one,6-bromo-indan-1-one,6-bromoindan-1-one,1-indanone, 6-bromo,1h-inden-1-one, 6-bromo-2,3-dihydro,6-bromo indanone,6-bromo-indanone |
| IUPAC Name | 6-bromo-2,3-dihydroinden-1-one |
| InChI Key | SEQHEDQNODAFIU-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO |
2-Bromo-3-methoxypyridine 98.0+%, TCI America™
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CAS: 24100-18-3 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.024 MDL Number: MFCD01570896 InChI Key: PDOWLYNSFYZIQX-UHFFFAOYSA-N PubChem CID: 90364 IUPAC Name: 2-bromo-3-methoxypyridine SMILES: COC1=C(N=CC=C1)Br
| PubChem CID | 90364 |
|---|---|
| CAS | 24100-18-3 |
| Molecular Weight (g/mol) | 188.024 |
| MDL Number | MFCD01570896 |
| SMILES | COC1=C(N=CC=C1)Br |
| IUPAC Name | 2-bromo-3-methoxypyridine |
| InChI Key | PDOWLYNSFYZIQX-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
3-Allyloxypropionic Acid 95.0+%, TCI America™
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CAS: 22577-15-7 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00039537 InChI Key: LBJZZFXUVYHXPH-UHFFFAOYSA-N PubChem CID: 552244 IUPAC Name: 3-prop-2-enoxypropanoic acid SMILES: C=CCOCCC(=O)O
| PubChem CID | 552244 |
|---|---|
| CAS | 22577-15-7 |
| Molecular Weight (g/mol) | 130.143 |
| MDL Number | MFCD00039537 |
| SMILES | C=CCOCCC(=O)O |
| IUPAC Name | 3-prop-2-enoxypropanoic acid |
| InChI Key | LBJZZFXUVYHXPH-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
5-(4-Nitrophenyl)-2-furaldehyde 98.0+%, TCI America™
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CAS: 7147-77-5 Molecular Formula: C11H7NO4 Molecular Weight (g/mol): 217.18 MDL Number: MFCD00124191 InChI Key: RTSOJVJDKNKNFU-UHFFFAOYSA-N Synonym: 5-4-nitrophenyl-2-furaldehyde,5-4-nitrophenyl furan-2-carbaldehyde,5-4-nitrophenyl-2-furancarboxaldehyde,5-4-nitrophenyl furfural,5-4-nitro-phenyl-furan-2-carbaldehyde,2-furancarboxaldehyde, 5-4-nitrophenyl,5-p-nitrophenyl furfural,5-4-nitrophenyl 2-furaldehyde,cambridge id 5143178,acmc-1bl92 PubChem CID: 81567 IUPAC Name: 5-(4-nitrophenyl)furan-2-carbaldehyde SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=O)[N+](=O)[O-]
| PubChem CID | 81567 |
|---|---|
| CAS | 7147-77-5 |
| Molecular Weight (g/mol) | 217.18 |
| MDL Number | MFCD00124191 |
| SMILES | C1=CC(=CC=C1C2=CC=C(O2)C=O)[N+](=O)[O-] |
| Synonym | 5-4-nitrophenyl-2-furaldehyde,5-4-nitrophenyl furan-2-carbaldehyde,5-4-nitrophenyl-2-furancarboxaldehyde,5-4-nitrophenyl furfural,5-4-nitro-phenyl-furan-2-carbaldehyde,2-furancarboxaldehyde, 5-4-nitrophenyl,5-p-nitrophenyl furfural,5-4-nitrophenyl 2-furaldehyde,cambridge id 5143178,acmc-1bl92 |
| IUPAC Name | 5-(4-nitrophenyl)furan-2-carbaldehyde |
| InChI Key | RTSOJVJDKNKNFU-UHFFFAOYSA-N |
| Molecular Formula | C11H7NO4 |
Diethyl Benzylmalonate 98.0+%, TCI America™
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CAS: 607-81-8 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD00009166 InChI Key: ICZLTZWATFXDLP-UHFFFAOYSA-N Synonym: diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate PubChem CID: 69090 IUPAC Name: diethyl 2-benzylpropanedioate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC
| PubChem CID | 69090 |
|---|---|
| CAS | 607-81-8 |
| Molecular Weight (g/mol) | 250.294 |
| MDL Number | MFCD00009166 |
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC |
| Synonym | diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate |
| IUPAC Name | diethyl 2-benzylpropanedioate |
| InChI Key | ICZLTZWATFXDLP-UHFFFAOYSA-N |
| Molecular Formula | C14H18O4 |
Ethyl Diethoxyacetate 97.0+%, TCI America™
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CAS: 6065-82-3 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.212 MDL Number: MFCD00009231 InChI Key: XCLBIKIQSCTANZ-UHFFFAOYSA-N Synonym: ethyl diethoxyacetate,acetic acid, diethoxy-, ethyl ester,diethoxyacetic acid ethyl ester,ethyldiethoxyacetate,acetic acid, 2,2-diethoxy-, ethyl ester,acetic acid,diethoxy,ethyl ester,acmc-209mlb,ethyl bis ethyloxy acetate,ethyl glyoxylate diethyl acetal PubChem CID: 80169 IUPAC Name: ethyl 2,2-diethoxyacetate SMILES: CCOC(C(=O)OCC)OCC
| PubChem CID | 80169 |
|---|---|
| CAS | 6065-82-3 |
| Molecular Weight (g/mol) | 176.212 |
| MDL Number | MFCD00009231 |
| SMILES | CCOC(C(=O)OCC)OCC |
| Synonym | ethyl diethoxyacetate,acetic acid, diethoxy-, ethyl ester,diethoxyacetic acid ethyl ester,ethyldiethoxyacetate,acetic acid, 2,2-diethoxy-, ethyl ester,acetic acid,diethoxy,ethyl ester,acmc-209mlb,ethyl bis ethyloxy acetate,ethyl glyoxylate diethyl acetal |
| IUPAC Name | ethyl 2,2-diethoxyacetate |
| InChI Key | XCLBIKIQSCTANZ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O4 |
Phenacyl Bromide 98.0+%, TCI America™
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CAS: 70-11-1 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD00000195 InChI Key: LIGACIXOYTUXAW-UHFFFAOYSA-N Synonym: 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo PubChem CID: 6259 ChEBI: CHEBI:51846 IUPAC Name: 2-bromo-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CBr
| PubChem CID | 6259 |
|---|---|
| CAS | 70-11-1 |
| Molecular Weight (g/mol) | 199.047 |
| ChEBI | CHEBI:51846 |
| MDL Number | MFCD00000195 |
| SMILES | C1=CC=C(C=C1)C(=O)CBr |
| Synonym | 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo |
| IUPAC Name | 2-bromo-1-phenylethanone |
| InChI Key | LIGACIXOYTUXAW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
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 |
Cyclohexyl Phenyl Ketone 98.0+%, TCI America™
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CAS: 712-50-5 Molecular Formula: C13H16O Molecular Weight (g/mol): 188.27 MDL Number: MFCD00001467 InChI Key: BMFYCFSWWDXEPB-UHFFFAOYSA-N Synonym: cyclohexyl phenyl ketone,cyclohexyl phenyl methanone,benzoylcyclohexane,cyclohexylphenylketone,benzoyl cyclohexane,phenyl cyclohexyl ketone,methanone, cyclohexylphenyl,cyclohexyl-phenyl-methanone,usaf kf-3,cyclohexylphenyl ketone PubChem CID: 12837 IUPAC Name: cyclohexyl(phenyl)methanone SMILES: C1CCC(CC1)C(=O)C2=CC=CC=C2
| PubChem CID | 12837 |
|---|---|
| CAS | 712-50-5 |
| Molecular Weight (g/mol) | 188.27 |
| MDL Number | MFCD00001467 |
| SMILES | C1CCC(CC1)C(=O)C2=CC=CC=C2 |
| Synonym | cyclohexyl phenyl ketone,cyclohexyl phenyl methanone,benzoylcyclohexane,cyclohexylphenylketone,benzoyl cyclohexane,phenyl cyclohexyl ketone,methanone, cyclohexylphenyl,cyclohexyl-phenyl-methanone,usaf kf-3,cyclohexylphenyl ketone |
| IUPAC Name | cyclohexyl(phenyl)methanone |
| InChI Key | BMFYCFSWWDXEPB-UHFFFAOYSA-N |
| Molecular Formula | C13H16O |
Azulene-1-carboxaldehyde 97.0+%, TCI America™
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CAS: 7206-61-3 Molecular Formula: C11H8O Molecular Weight (g/mol): 156.184 MDL Number: MFCD19301077 InChI Key: CZRXLQPVJOJLML-UHFFFAOYSA-N Synonym: 1-Formylazulene PubChem CID: 11744870 IUPAC Name: azulene-1-carbaldehyde SMILES: C1=CC=C2C=CC(=C2C=C1)C=O
| PubChem CID | 11744870 |
|---|---|
| CAS | 7206-61-3 |
| Molecular Weight (g/mol) | 156.184 |
| MDL Number | MFCD19301077 |
| SMILES | C1=CC=C2C=CC(=C2C=C1)C=O |
| Synonym | 1-Formylazulene |
| IUPAC Name | azulene-1-carbaldehyde |
| InChI Key | CZRXLQPVJOJLML-UHFFFAOYSA-N |
| Molecular Formula | C11H8O |