Organooxygen compounds
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3,4-Diethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 2029-94-9 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00016607 InChI Key: SSTRYEXQYQGGAS-UHFFFAOYSA-N PubChem CID: 74847 IUPAC Name: 3,4-diethoxybenzaldehyde SMILES: CCOC1=C(C=C(C=C1)C=O)OCC
| PubChem CID | 74847 |
|---|---|
| CAS | 2029-94-9 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00016607 |
| SMILES | CCOC1=C(C=C(C=C1)C=O)OCC |
| IUPAC Name | 3,4-diethoxybenzaldehyde |
| InChI Key | SSTRYEXQYQGGAS-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
3-Chloro-2-methoxypyridine 97.0+%, TCI America™
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CAS: 13472-84-9 Molecular Formula: C6H6ClNO Molecular Weight (g/mol): 143.57 MDL Number: MFCD03095227 InChI Key: MSICGKUDCSUMJZ-UHFFFAOYSA-N Synonym: 3-chloro-2-methoxy-pyridine,pyridine, 3-chloro-2-methoxy,2-methoxy-3-chloropyridine,pubchem1189,acmc-1c0pw,ksc494g7h,3-chloranyl-2-methoxy-pyridine PubChem CID: 13295749 IUPAC Name: 3-chloro-2-methoxypyridine SMILES: COC1=C(C=CC=N1)Cl
| PubChem CID | 13295749 |
|---|---|
| CAS | 13472-84-9 |
| Molecular Weight (g/mol) | 143.57 |
| MDL Number | MFCD03095227 |
| SMILES | COC1=C(C=CC=N1)Cl |
| Synonym | 3-chloro-2-methoxy-pyridine,pyridine, 3-chloro-2-methoxy,2-methoxy-3-chloropyridine,pubchem1189,acmc-1c0pw,ksc494g7h,3-chloranyl-2-methoxy-pyridine |
| IUPAC Name | 3-chloro-2-methoxypyridine |
| InChI Key | MSICGKUDCSUMJZ-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO |
3-Ethoxypropionic Acid 98.0+%, TCI America™
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CAS: 4324-38-3 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00058997 InChI Key: JRXXEXVXTFEBIY-UHFFFAOYSA-N Synonym: O-Ethylhydracrylic Acid PubChem CID: 61351 IUPAC Name: 3-ethoxypropanoic acid SMILES: CCOCCC(=O)O
| PubChem CID | 61351 |
|---|---|
| CAS | 4324-38-3 |
| Molecular Weight (g/mol) | 118.132 |
| MDL Number | MFCD00058997 |
| SMILES | CCOCCC(=O)O |
| Synonym | O-Ethylhydracrylic Acid |
| IUPAC Name | 3-ethoxypropanoic acid |
| InChI Key | JRXXEXVXTFEBIY-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
4-(2-Hydroxyethyl)cyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 74058-21-2 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 InChI Key: SZIBVWWQOOVXHS-UHFFFAOYSA-N Synonym: 2-(4-Hydroxycyclohexyl)ethanol, 4-Hydroxycyclohexaneethanol PubChem CID: 13751153 IUPAC Name: 4-(2-hydroxyethyl)cyclohexan-1-ol SMILES: C1CC(CCC1CCO)O
| PubChem CID | 13751153 |
|---|---|
| CAS | 74058-21-2 |
| Molecular Weight (g/mol) | 144.214 |
| SMILES | C1CC(CCC1CCO)O |
| Synonym | 2-(4-Hydroxycyclohexyl)ethanol, 4-Hydroxycyclohexaneethanol |
| IUPAC Name | 4-(2-hydroxyethyl)cyclohexan-1-ol |
| InChI Key | SZIBVWWQOOVXHS-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
3'-Bromo-4'-methylacetophenone 98.0+%, TCI America™
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CAS: 40180-80-1 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD02683854 InChI Key: PDJLFESXPVLVMR-UHFFFAOYSA-N PubChem CID: 3309401 IUPAC Name: 1-(3-bromo-4-methylphenyl)ethanone SMILES: CC1=C(C=C(C=C1)C(=O)C)Br
| PubChem CID | 3309401 |
|---|---|
| CAS | 40180-80-1 |
| Molecular Weight (g/mol) | 213.074 |
| MDL Number | MFCD02683854 |
| SMILES | CC1=C(C=C(C=C1)C(=O)C)Br |
| IUPAC Name | 1-(3-bromo-4-methylphenyl)ethanone |
| InChI Key | PDJLFESXPVLVMR-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
5-Chloro-1-methylisatin 98.0+%, TCI America™
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CAS: 60434-13-1 Molecular Formula: C9H6ClNO2 Molecular Weight (g/mol): 195.60 MDL Number: MFCD02956479 InChI Key: NJOPQQPDPYWFFA-UHFFFAOYSA-N Synonym: 5-Chloro-1-methylindole-2,3-dione, 5-Chloro-1-methyl-2,3-indolinedione PubChem CID: 108941 IUPAC Name: 5-chloro-1-methyl-2,3-dihydro-1H-indole-2,3-dione SMILES: CN1C(=O)C(=O)C2=CC(Cl)=CC=C12
| PubChem CID | 108941 |
|---|---|
| CAS | 60434-13-1 |
| Molecular Weight (g/mol) | 195.60 |
| MDL Number | MFCD02956479 |
| SMILES | CN1C(=O)C(=O)C2=CC(Cl)=CC=C12 |
| Synonym | 5-Chloro-1-methylindole-2,3-dione, 5-Chloro-1-methyl-2,3-indolinedione |
| IUPAC Name | 5-chloro-1-methyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | NJOPQQPDPYWFFA-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO2 |
Methyl Fumaraldehydate 96.0+%, TCI America™
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CAS: 5837-72-9 Molecular Formula: C5H6O3 Molecular Weight (g/mol): 114.1 MDL Number: MFCD00191651 InChI Key: CRBJVPSOOMDSPT-NSCUHMNNSA-N Synonym: 3-(Methoxycarbonyl)-2-propenal, Fumaraldehydic Acid Methyl Ester, 3-(Methoxycarbonyl)acrylaldehyde PubChem CID: 5364747 IUPAC Name: methyl (E)-4-oxobut-2-enoate SMILES: COC(=O)C=CC=O
| PubChem CID | 5364747 |
|---|---|
| CAS | 5837-72-9 |
| Molecular Weight (g/mol) | 114.1 |
| MDL Number | MFCD00191651 |
| SMILES | COC(=O)C=CC=O |
| Synonym | 3-(Methoxycarbonyl)-2-propenal, Fumaraldehydic Acid Methyl Ester, 3-(Methoxycarbonyl)acrylaldehyde |
| IUPAC Name | methyl (E)-4-oxobut-2-enoate |
| InChI Key | CRBJVPSOOMDSPT-NSCUHMNNSA-N |
| Molecular Formula | C5H6O3 |
(R)-(-)-1,3-Butanediol 98.0+%, TCI America™
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CAS: 6290-03-5 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00064277 InChI Key: PUPZLCDOIYMWBV-UHFFFAOYNA-N Synonym: r---1,3-butanediol,r-butane-1,3-diol,3r-butane-1,3-diol,r-1,3-butanediol,1,3-butanediol, 3r,r---1,3-butylene glycol,r---butane-1,3-diol,1,3-butanediol, r PubChem CID: 637497 ChEBI: CHEBI:52687 IUPAC Name: (3R)-butane-1,3-diol SMILES: CC(CCO)O
| PubChem CID | 637497 |
|---|---|
| CAS | 6290-03-5 |
| Molecular Weight (g/mol) | 90.12 |
| ChEBI | CHEBI:52687 |
| MDL Number | MFCD00064277 |
| SMILES | CC(CCO)O |
| Synonym | r---1,3-butanediol,r-butane-1,3-diol,3r-butane-1,3-diol,r-1,3-butanediol,1,3-butanediol, 3r,r---1,3-butylene glycol,r---butane-1,3-diol,1,3-butanediol, r |
| IUPAC Name | (3R)-butane-1,3-diol |
| InChI Key | PUPZLCDOIYMWBV-UHFFFAOYNA-N |
| Molecular Formula | C4H10O2 |
4-Acetylphenyl Trifluoromethanesulfonate 98.0+%, TCI America™
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CAS: 109613-00-5 Molecular Formula: C9H7F3O4S Molecular Weight (g/mol): 268.206 MDL Number: MFCD00191706 InChI Key: RUMMIUOXQGFCEP-UHFFFAOYSA-N Synonym: 4-Acetylphenyl Triflate, Trifluoromethanesulfonic Acid 4-Acetylphenyl Ester PubChem CID: 2769355 IUPAC Name: (4-acetylphenyl) trifluoromethanesulfonate SMILES: CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F
| PubChem CID | 2769355 |
|---|---|
| CAS | 109613-00-5 |
| Molecular Weight (g/mol) | 268.206 |
| MDL Number | MFCD00191706 |
| SMILES | CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F |
| Synonym | 4-Acetylphenyl Triflate, Trifluoromethanesulfonic Acid 4-Acetylphenyl Ester |
| IUPAC Name | (4-acetylphenyl) trifluoromethanesulfonate |
| InChI Key | RUMMIUOXQGFCEP-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O4S |
3,6-Dioxa-1,8-octanedithiol 97.0+%, TCI America™
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CAS: 14970-87-7 Molecular Formula: C6H14O2S2 Molecular Weight (g/mol): 182.296 MDL Number: MFCD00015873 InChI Key: HCZMHWVFVZAHCR-UHFFFAOYSA-N Synonym: 1,2-Bis(2-mercaptoethoxy)ethane, 1,8-Dimercapto-3,6-dioxaoctane, Ethylene Glycol Bis(2-mercaptoethyl) Ether PubChem CID: 84733 IUPAC Name: 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol SMILES: C(COCCS)OCCS
| PubChem CID | 84733 |
|---|---|
| CAS | 14970-87-7 |
| Molecular Weight (g/mol) | 182.296 |
| MDL Number | MFCD00015873 |
| SMILES | C(COCCS)OCCS |
| Synonym | 1,2-Bis(2-mercaptoethoxy)ethane, 1,8-Dimercapto-3,6-dioxaoctane, Ethylene Glycol Bis(2-mercaptoethyl) Ether |
| IUPAC Name | 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol |
| InChI Key | HCZMHWVFVZAHCR-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2S2 |
2,6-Diacetylpyridine 98.0+%, TCI America™
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CAS: 1129-30-2 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00006304 InChI Key: BEZVGIHGZPLGBL-UHFFFAOYSA-N Synonym: 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 PubChem CID: 70790 IUPAC Name: 1-(6-acetylpyridin-2-yl)ethan-1-one SMILES: CC(=O)C1=CC=CC(=N1)C(C)=O
| PubChem CID | 70790 |
|---|---|
| CAS | 1129-30-2 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD00006304 |
| SMILES | CC(=O)C1=CC=CC(=N1)C(C)=O |
| Synonym | 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 |
| IUPAC Name | 1-(6-acetylpyridin-2-yl)ethan-1-one |
| InChI Key | BEZVGIHGZPLGBL-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
Ethyl 2-Benzylacetoacetate 97.0+%, TCI America™
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CAS: 620-79-1 Molecular Formula: C13H16O3 Molecular Weight (g/mol): 220.268 MDL Number: MFCD00009156 InChI Key: XDWQYMXQMNUWID-UHFFFAOYSA-N Synonym: ethyl 2-benzylacetoacetate,ethyl 2-acetyl-3-phenylpropionate,ethyl benzyl acetoacetate,ethyl alpha-benzylacetoacetate,2-benzylacetoacetic acid ethyl ester,ethyl .alpha.-benzylacetoacetate,2-benzylacetoacetate,ethyl 3-oxo-2-benzylbutanoate,ethyl alpha-acetylhydrocinnamate,ethyl benzylacetoacetate PubChem CID: 246929 IUPAC Name: ethyl 2-benzyl-3-oxobutanoate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)C
| PubChem CID | 246929 |
|---|---|
| CAS | 620-79-1 |
| Molecular Weight (g/mol) | 220.268 |
| MDL Number | MFCD00009156 |
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)C(=O)C |
| Synonym | ethyl 2-benzylacetoacetate,ethyl 2-acetyl-3-phenylpropionate,ethyl benzyl acetoacetate,ethyl alpha-benzylacetoacetate,2-benzylacetoacetic acid ethyl ester,ethyl .alpha.-benzylacetoacetate,2-benzylacetoacetate,ethyl 3-oxo-2-benzylbutanoate,ethyl alpha-acetylhydrocinnamate,ethyl benzylacetoacetate |
| IUPAC Name | ethyl 2-benzyl-3-oxobutanoate |
| InChI Key | XDWQYMXQMNUWID-UHFFFAOYSA-N |
| Molecular Formula | C13H16O3 |
Bis(2,4-pentanedionato)titanium(IV) Oxide, TCI America™
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CAS: 14024-64-7 Molecular Formula: C10H16O5Ti Molecular Weight (g/mol): 264.1 MDL Number: MFCD00013505 InChI Key: ADVORQMAWLEPOI-UHFFFAOYSA-N Synonym: bis acetylacetonato titanium iv oxide,bis 4-hydroxypent-3-en-2-one ; titanium ii oxide PubChem CID: 74765597 IUPAC Name: 4-hydroxypent-3-en-2-one;oxotitanium SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.O=[Ti]
| PubChem CID | 74765597 |
|---|---|
| CAS | 14024-64-7 |
| Molecular Weight (g/mol) | 264.1 |
| MDL Number | MFCD00013505 |
| SMILES | CC(=CC(=O)C)O.CC(=CC(=O)C)O.O=[Ti] |
| Synonym | bis acetylacetonato titanium iv oxide,bis 4-hydroxypent-3-en-2-one ; titanium ii oxide |
| IUPAC Name | 4-hydroxypent-3-en-2-one;oxotitanium |
| InChI Key | ADVORQMAWLEPOI-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5Ti |
Dibenzo-24-crown 8-Ether 98.0+%, TCI America™
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CAS: 14174-09-5 Molecular Formula: C24H32O8 Molecular Weight (g/mol): 448.51 MDL Number: MFCD00005101 InChI Key: UNTITLLXXOKDTB-UHFFFAOYSA-N PubChem CID: 84238 IUPAC Name: 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0¹²,¹⁷]dotriaconta-1(32),12,14,16,28,30-hexaene SMILES: C1COCCOC2=CC=CC=C2OCCOCCOCCOC2=CC=CC=C2OCCO1
| PubChem CID | 84238 |
|---|---|
| CAS | 14174-09-5 |
| Molecular Weight (g/mol) | 448.51 |
| MDL Number | MFCD00005101 |
| SMILES | C1COCCOC2=CC=CC=C2OCCOCCOCCOC2=CC=CC=C2OCCO1 |
| IUPAC Name | 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0¹²,¹⁷]dotriaconta-1(32),12,14,16,28,30-hexaene |
| InChI Key | UNTITLLXXOKDTB-UHFFFAOYSA-N |
| Molecular Formula | C24H32O8 |
4,4'-Dibromobenzil 97.0+%, TCI America™
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CAS: 35578-47-3 Molecular Formula: C14H8Br2O2 Molecular Weight (g/mol): 368.024 MDL Number: MFCD00000104 InChI Key: NYCBYBDDECLFPE-UHFFFAOYSA-N Synonym: 4,4'-dibromobenzil,ethanedione, bis 4-bromophenyl,p,p'-dibromobenzil,1,2-bis 4-bromophenyl ethane-1,2-dione,benzyl, 4,4'-dibromo,unii-o4txv8a656,bis 4-bromophenyl ethanedione,1,2-ethanedione, 1,2-bis 4-bromophenyl,bis 4-bromophenyl ethane-1,2-dione,1,2-bis-4-bromo-phenyl-ethane-1,2-dione PubChem CID: 96430 IUPAC Name: 1,2-bis(4-bromophenyl)ethane-1,2-dione SMILES: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br
| PubChem CID | 96430 |
|---|---|
| CAS | 35578-47-3 |
| Molecular Weight (g/mol) | 368.024 |
| MDL Number | MFCD00000104 |
| SMILES | C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br |
| Synonym | 4,4'-dibromobenzil,ethanedione, bis 4-bromophenyl,p,p'-dibromobenzil,1,2-bis 4-bromophenyl ethane-1,2-dione,benzyl, 4,4'-dibromo,unii-o4txv8a656,bis 4-bromophenyl ethanedione,1,2-ethanedione, 1,2-bis 4-bromophenyl,bis 4-bromophenyl ethane-1,2-dione,1,2-bis-4-bromo-phenyl-ethane-1,2-dione |
| IUPAC Name | 1,2-bis(4-bromophenyl)ethane-1,2-dione |
| InChI Key | NYCBYBDDECLFPE-UHFFFAOYSA-N |
| Molecular Formula | C14H8Br2O2 |