Organooxygen compounds
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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 |
2-(Hydroxymethyl)-15-crown 5-Ether 96.0+%, TCI America™
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CAS: 75507-25-4 Molecular Formula: C11H22O6 Molecular Weight (g/mol): 250.291 MDL Number: MFCD00192215 InChI Key: YHIQMMGCRYKJLB-UHFFFAOYSA-N PubChem CID: 2733744 IUPAC Name: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol SMILES: C1COCCOCC(OCCOCCO1)CO
| PubChem CID | 2733744 |
|---|---|
| CAS | 75507-25-4 |
| Molecular Weight (g/mol) | 250.291 |
| MDL Number | MFCD00192215 |
| SMILES | C1COCCOCC(OCCOCCO1)CO |
| IUPAC Name | 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol |
| InChI Key | YHIQMMGCRYKJLB-UHFFFAOYSA-N |
| Molecular Formula | C11H22O6 |
2-Propionylthiophene 98.0+%, TCI America™
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CAS: 13679-75-9 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.2 MDL Number: MFCD00005446 InChI Key: MFPZQZZWAMAHOY-UHFFFAOYSA-N Synonym: 1-2-thienyl-1-propanone,2-propionylthiophene,1-thiophen-2-yl propan-1-one,1-2-thienyl propan-1-one,ethyl 2-thienyl ketone,2-propanoylthiophene,1-propanone, 1-2-thienyl,unii-ny658tvp5m,ethyl thienyl ketone,ethyl-2-thienyl ketone PubChem CID: 26179 IUPAC Name: 1-thiophen-2-ylpropan-1-one SMILES: CCC(=O)C1=CC=CS1
| PubChem CID | 26179 |
|---|---|
| CAS | 13679-75-9 |
| Molecular Weight (g/mol) | 140.2 |
| MDL Number | MFCD00005446 |
| SMILES | CCC(=O)C1=CC=CS1 |
| Synonym | 1-2-thienyl-1-propanone,2-propionylthiophene,1-thiophen-2-yl propan-1-one,1-2-thienyl propan-1-one,ethyl 2-thienyl ketone,2-propanoylthiophene,1-propanone, 1-2-thienyl,unii-ny658tvp5m,ethyl thienyl ketone,ethyl-2-thienyl ketone |
| IUPAC Name | 1-thiophen-2-ylpropan-1-one |
| InChI Key | MFPZQZZWAMAHOY-UHFFFAOYSA-N |
| Molecular Formula | C7H8OS |
Benzoylacetonitrile 98.0+%, TCI America™
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CAS: 614-16-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001942 InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N Synonym: benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile PubChem CID: 64799 ChEBI: CHEBI:51855 IUPAC Name: 3-oxo-3-phenylpropanenitrile SMILES: O=C(CC#N)C1=CC=CC=C1
| PubChem CID | 64799 |
|---|---|
| CAS | 614-16-4 |
| Molecular Weight (g/mol) | 145.16 |
| ChEBI | CHEBI:51855 |
| MDL Number | MFCD00001942 |
| SMILES | O=C(CC#N)C1=CC=CC=C1 |
| Synonym | benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile |
| IUPAC Name | 3-oxo-3-phenylpropanenitrile |
| InChI Key | ZJRCIQAMTAINCB-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
Indole-5-carboxaldehyde 98.0+%, TCI America™
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CAS: 1196-69-6 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD02093664 InChI Key: ADZUEEUKBYCSEY-UHFFFAOYSA-N Synonym: indole-5-carboxaldehyde,5-formylindole,indole-5-carbaldehyde,1h-indole-5-carboxaldehyde,5-indolealdehyde,indole-5-aldehyde,5-formyl-1h-indole,5-indolecarboxaldehyde,indole-5-carboxaldehyde 5-formylindole,5-formyl-indole PubChem CID: 589040 IUPAC Name: 1H-indole-5-carbaldehyde SMILES: C1=CC2=C(C=CN2)C=C1C=O
| PubChem CID | 589040 |
|---|---|
| CAS | 1196-69-6 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD02093664 |
| SMILES | C1=CC2=C(C=CN2)C=C1C=O |
| Synonym | indole-5-carboxaldehyde,5-formylindole,indole-5-carbaldehyde,1h-indole-5-carboxaldehyde,5-indolealdehyde,indole-5-aldehyde,5-formyl-1h-indole,5-indolecarboxaldehyde,indole-5-carboxaldehyde 5-formylindole,5-formyl-indole |
| IUPAC Name | 1H-indole-5-carbaldehyde |
| InChI Key | ADZUEEUKBYCSEY-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
3'-Nitroacetophenone 98.0+%, TCI America™
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CAS: 121-89-1 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD00007259 InChI Key: ARKIFHPFTHVKDT-UHFFFAOYSA-N Synonym: 3'-nitroacetophenone,3-nitroacetophenone,m-nitroacetophenone,1-3-nitrophenyl ethanone,ethanone, 1-3-nitrophenyl,acetophenone, 3'-nitro,m-acetylnitrobenzene,usaf ma-1,methyl 3-nitrophenyl ketone,3-nitroacetofenon PubChem CID: 8494 IUPAC Name: 1-(3-nitrophenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
| PubChem CID | 8494 |
|---|---|
| CAS | 121-89-1 |
| Molecular Weight (g/mol) | 165.148 |
| MDL Number | MFCD00007259 |
| SMILES | CC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| Synonym | 3'-nitroacetophenone,3-nitroacetophenone,m-nitroacetophenone,1-3-nitrophenyl ethanone,ethanone, 1-3-nitrophenyl,acetophenone, 3'-nitro,m-acetylnitrobenzene,usaf ma-1,methyl 3-nitrophenyl ketone,3-nitroacetofenon |
| IUPAC Name | 1-(3-nitrophenyl)ethanone |
| InChI Key | ARKIFHPFTHVKDT-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
Hexachloroacetone 98.0+%, TCI America™
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CAS: 116-16-5 Molecular Formula: C3Cl6O Molecular Weight (g/mol): 264.73 MDL Number: MFCD00000796 InChI Key: DOJXGHGHTWFZHK-UHFFFAOYSA-N Synonym: hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro PubChem CID: 8303 ChEBI: CHEBI:82243 IUPAC Name: hexachloropropan-2-one SMILES: ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
| PubChem CID | 8303 |
|---|---|
| CAS | 116-16-5 |
| Molecular Weight (g/mol) | 264.73 |
| ChEBI | CHEBI:82243 |
| MDL Number | MFCD00000796 |
| SMILES | ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl |
| Synonym | hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro |
| IUPAC Name | hexachloropropan-2-one |
| InChI Key | DOJXGHGHTWFZHK-UHFFFAOYSA-N |
| Molecular Formula | C3Cl6O |
Bis(2,4-pentanedionato)cobalt(II) Dihydrate 98.0+%, TCI America™
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CAS: 123334-29-2 Molecular Formula: C10H18CoO5 Molecular Weight (g/mol): 277.182 MDL Number: MFCD00000014 InChI Key: JHWSVOFBMAXGJH-SUKNRPLKSA-N Synonym: Acetylacetone Cobalt(II) Salt, Cobalt(II) Acetylacetonate PubChem CID: 22836398 IUPAC Name: cobalt;(Z)-4-hydroxypent-3-en-2-one;hydrate SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.O.[Co]
| PubChem CID | 22836398 |
|---|---|
| CAS | 123334-29-2 |
| Molecular Weight (g/mol) | 277.182 |
| MDL Number | MFCD00000014 |
| SMILES | CC(=CC(=O)C)O.CC(=CC(=O)C)O.O.[Co] |
| Synonym | Acetylacetone Cobalt(II) Salt, Cobalt(II) Acetylacetonate |
| IUPAC Name | cobalt;(Z)-4-hydroxypent-3-en-2-one;hydrate |
| InChI Key | JHWSVOFBMAXGJH-SUKNRPLKSA-N |
| Molecular Formula | C10H18CoO5 |
1,5,6,7-Tetrahydro-2-methyl-4H-indol-4-one 98.0+%, TCI America™
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CAS: 35308-68-0 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD04972500 InChI Key: HJIYEKHYUGHTAC-UHFFFAOYSA-N Synonym: 2-Methyl-4-oxo-4,5,6,7-tetrahydroindole PubChem CID: 9815223 IUPAC Name: 2-methyl-4,5,6,7-tetrahydro-1H-indol-4-one SMILES: CC1=CC2=C(CCCC2=O)N1
| PubChem CID | 9815223 |
|---|---|
| CAS | 35308-68-0 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD04972500 |
| SMILES | CC1=CC2=C(CCCC2=O)N1 |
| Synonym | 2-Methyl-4-oxo-4,5,6,7-tetrahydroindole |
| IUPAC Name | 2-methyl-4,5,6,7-tetrahydro-1H-indol-4-one |
| InChI Key | HJIYEKHYUGHTAC-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine 98.0+%, TCI America™
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CAS: 445264-61-9 Molecular Formula: C12H18BNO3 Molecular Weight (g/mol): 235.09 MDL Number: MFCD05663858 InChI Key: QOGNDJLSYMJGPP-UHFFFAOYSA-N Synonym: 2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-methoxyl-5-pyridineboronic acid pinacol ester,2-methoxypyridine-5-boronic acid pinacol ester,6-methoxypyridine-3-boronic acid pinacol ester,2-methoxy-5-pyridineboronic acid pinacol ester,6-methoxypyridin-3-ylboronic acid pinacol ester,pyridine, 2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,2-methoxypyridine-5-boronic acid, pinacol ester,2-methoxypyridin-5-yl boronic acid pinacol ester,2-methoxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine PubChem CID: 16217714 IUPAC Name: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OC
| PubChem CID | 16217714 |
|---|---|
| CAS | 445264-61-9 |
| Molecular Weight (g/mol) | 235.09 |
| MDL Number | MFCD05663858 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OC |
| Synonym | 2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-methoxyl-5-pyridineboronic acid pinacol ester,2-methoxypyridine-5-boronic acid pinacol ester,6-methoxypyridine-3-boronic acid pinacol ester,2-methoxy-5-pyridineboronic acid pinacol ester,6-methoxypyridin-3-ylboronic acid pinacol ester,pyridine, 2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,2-methoxypyridine-5-boronic acid, pinacol ester,2-methoxypyridin-5-yl boronic acid pinacol ester,2-methoxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine |
| IUPAC Name | 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | QOGNDJLSYMJGPP-UHFFFAOYSA-N |
| Molecular Formula | C12H18BNO3 |
6-Chloro-2-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 54087-03-5 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.554 MDL Number: MFCD09832941 InChI Key: XTRLIKXVRGWTKW-UHFFFAOYSA-N Synonym: 6-chloropicolinaldehyde,6-chloro-2-pyridinecarbaldehyde,6-chloro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-chloro,2-chloro-6-formylpyridine,6-chloro-2-formylpyridine,2-chloropyridine-6-carboxaldehyde,6-chloro-2-pyridinecarboxaldehyde,pubchem13323,chloropyridinecarbaldehyde PubChem CID: 10796848 IUPAC Name: 6-chloropyridine-2-carbaldehyde SMILES: C1=CC(=NC(=C1)Cl)C=O
| PubChem CID | 10796848 |
|---|---|
| CAS | 54087-03-5 |
| Molecular Weight (g/mol) | 141.554 |
| MDL Number | MFCD09832941 |
| SMILES | C1=CC(=NC(=C1)Cl)C=O |
| Synonym | 6-chloropicolinaldehyde,6-chloro-2-pyridinecarbaldehyde,6-chloro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-chloro,2-chloro-6-formylpyridine,6-chloro-2-formylpyridine,2-chloropyridine-6-carboxaldehyde,6-chloro-2-pyridinecarboxaldehyde,pubchem13323,chloropyridinecarbaldehyde |
| IUPAC Name | 6-chloropyridine-2-carbaldehyde |
| InChI Key | XTRLIKXVRGWTKW-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
Allyl Ether 98.0+%, TCI America™
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CAS: 557-40-4 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00008650 InChI Key: ATVJXMYDOSMEPO-UHFFFAOYSA-N Synonym: Diallyl Ether PubChem CID: 11194 IUPAC Name: 3-prop-2-enoxyprop-1-ene SMILES: C=CCOCC=C
| PubChem CID | 11194 |
|---|---|
| CAS | 557-40-4 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00008650 |
| SMILES | C=CCOCC=C |
| Synonym | Diallyl Ether |
| IUPAC Name | 3-prop-2-enoxyprop-1-ene |
| InChI Key | ATVJXMYDOSMEPO-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
1,3-Cyclopentanediol (cis- and trans- mixture) 95.0+%, TCI America™
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CAS: 59719-74-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00001367 InChI Key: NUUPJBRGQCEZSI-UHFFFAOYSA-N Synonym: 1,3-cyclopentanediol,1,3-cyclopentanediol, cis,1,3-cyclopentanediol, mixture of cis and trans,1,3-cyclopentandiol,1,4-cyclopentanediol,cyclopentan-1,3-diol,3-hydroxy cylcopentanol,cyclopentane 1,3-diol,acmc-20ap4n,1,3-dihydroxycyclopentane PubChem CID: 100165 IUPAC Name: cyclopentane-1,3-diol SMILES: C1CC(CC1O)O
| PubChem CID | 100165 |
|---|---|
| CAS | 59719-74-3 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00001367 |
| SMILES | C1CC(CC1O)O |
| Synonym | 1,3-cyclopentanediol,1,3-cyclopentanediol, cis,1,3-cyclopentanediol, mixture of cis and trans,1,3-cyclopentandiol,1,4-cyclopentanediol,cyclopentan-1,3-diol,3-hydroxy cylcopentanol,cyclopentane 1,3-diol,acmc-20ap4n,1,3-dihydroxycyclopentane |
| IUPAC Name | cyclopentane-1,3-diol |
| InChI Key | NUUPJBRGQCEZSI-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
2-(2-Aminoethyl)-1,3-dioxolane 98.0+%, TCI America™
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CAS: 5754-35-8 Molecular Formula: C5H11NO2 Molecular Weight (g/mol): 117.15 MDL Number: MFCD00142756 InChI Key: JNAQYWWCTUEVKR-UHFFFAOYSA-N PubChem CID: 79827 IUPAC Name: 2-(1,3-dioxolan-2-yl)ethan-1-amine SMILES: NCCC1OCCO1
| PubChem CID | 79827 |
|---|---|
| CAS | 5754-35-8 |
| Molecular Weight (g/mol) | 117.15 |
| MDL Number | MFCD00142756 |
| SMILES | NCCC1OCCO1 |
| IUPAC Name | 2-(1,3-dioxolan-2-yl)ethan-1-amine |
| InChI Key | JNAQYWWCTUEVKR-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO2 |
2-(Aminomethyl)-1,3-dioxolane 98.0+%, TCI America™
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CAS: 4388-97-0 Molecular Formula: C4H9NO2 Molecular Weight (g/mol): 103.121 MDL Number: MFCD00142862 InChI Key: QXXRLUXAOFVOTE-UHFFFAOYSA-N PubChem CID: 10855394 IUPAC Name: 1,3-dioxolan-2-ylmethanamine SMILES: C1COC(O1)CN
| PubChem CID | 10855394 |
|---|---|
| CAS | 4388-97-0 |
| Molecular Weight (g/mol) | 103.121 |
| MDL Number | MFCD00142862 |
| SMILES | C1COC(O1)CN |
| IUPAC Name | 1,3-dioxolan-2-ylmethanamine |
| InChI Key | QXXRLUXAOFVOTE-UHFFFAOYSA-N |
| Molecular Formula | C4H9NO2 |