Organooxygen compounds
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3-Cyanophenacyl Bromide 98.0+%, TCI America™
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CAS: 50916-55-7 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.06 MDL Number: MFCD00833267 InChI Key: XWCGNFLHRINYCE-UHFFFAOYSA-N Synonym: 3-2-bromoacetyl benzonitrile,3-cyanophenacyl bromide,3-cyanophenacylbromide,2-bromo-3'-cyanoacetophenone,3-2-bromoacetyl benzenecarbonitrile,3-bromoacetyl benzonitrile,3-2-bromo-acetyl-benzonitrile,benzonitrile, 3-bromoacetyl,3-bromoacetyl-benzonitrile PubChem CID: 2735867 IUPAC Name: 3-(2-bromoacetyl)benzonitrile SMILES: BrCC(=O)C1=CC=CC(=C1)C#N
| PubChem CID | 2735867 |
|---|---|
| CAS | 50916-55-7 |
| Molecular Weight (g/mol) | 224.06 |
| MDL Number | MFCD00833267 |
| SMILES | BrCC(=O)C1=CC=CC(=C1)C#N |
| Synonym | 3-2-bromoacetyl benzonitrile,3-cyanophenacyl bromide,3-cyanophenacylbromide,2-bromo-3'-cyanoacetophenone,3-2-bromoacetyl benzenecarbonitrile,3-bromoacetyl benzonitrile,3-2-bromo-acetyl-benzonitrile,benzonitrile, 3-bromoacetyl,3-bromoacetyl-benzonitrile |
| IUPAC Name | 3-(2-bromoacetyl)benzonitrile |
| InChI Key | XWCGNFLHRINYCE-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
5-Methyl-3-hexen-2-one (contains 5-Methyl-4-hexen-2-one), TCI America™
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CAS: 5166-53-0 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.172 MDL Number: MFCD00012166 InChI Key: IYMKNYVCXUEFJE-SNAWJCMRSA-N PubChem CID: 5363140 IUPAC Name: (E)-5-methylhex-3-en-2-one SMILES: CC(C)C=CC(=O)C
| PubChem CID | 5363140 |
|---|---|
| CAS | 5166-53-0 |
| Molecular Weight (g/mol) | 112.172 |
| MDL Number | MFCD00012166 |
| SMILES | CC(C)C=CC(=O)C |
| IUPAC Name | (E)-5-methylhex-3-en-2-one |
| InChI Key | IYMKNYVCXUEFJE-SNAWJCMRSA-N |
| Molecular Formula | C7H12O |
2'-Amino-4',5'-dimethoxyacetophenone 98.0+%, TCI America™
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CAS: 4101-30-8 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.218 MDL Number: MFCD00016646 InChI Key: KGKWXEGYKGTMAK-UHFFFAOYSA-N Synonym: 1-2-amino-4,5-dimethoxyphenyl ethanone,2'-amino-4',5'-dimethoxyacetophenone,2-amino-4,5-dimethoxyacetophenone,1-2-amino-4,5-dimethoxyphenyl ethan-1-one,1-2-amino-4,5-dimethoxyhenyl ethanone,ethanone, 1-2-amino-4,5-dimethoxyphenyl,1-acetyl-2-amino-4,5-dimethoxybenzene,pubchem4007,acmc-1arib,2-acetyl-4,5-dimethoxyaniline PubChem CID: 602085 IUPAC Name: 1-(2-amino-4,5-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1N)OC)OC
| PubChem CID | 602085 |
|---|---|
| CAS | 4101-30-8 |
| Molecular Weight (g/mol) | 195.218 |
| MDL Number | MFCD00016646 |
| SMILES | CC(=O)C1=CC(=C(C=C1N)OC)OC |
| Synonym | 1-2-amino-4,5-dimethoxyphenyl ethanone,2'-amino-4',5'-dimethoxyacetophenone,2-amino-4,5-dimethoxyacetophenone,1-2-amino-4,5-dimethoxyphenyl ethan-1-one,1-2-amino-4,5-dimethoxyhenyl ethanone,ethanone, 1-2-amino-4,5-dimethoxyphenyl,1-acetyl-2-amino-4,5-dimethoxybenzene,pubchem4007,acmc-1arib,2-acetyl-4,5-dimethoxyaniline |
| IUPAC Name | 1-(2-amino-4,5-dimethoxyphenyl)ethanone |
| InChI Key | KGKWXEGYKGTMAK-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO3 |
1,1,3,3-Tetramethoxypropane 98.0+%, TCI America™
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CAS: 102-52-3 Molecular Formula: C7H16O4 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008488 InChI Key: XHTYQFMRBQUCPX-UHFFFAOYSA-N Synonym: propane, 1,1,3,3-tetramethoxy,tetramethoxypropane,malonaldehyde bis dimethyl acetal,malonaldehyde tetramethyl acetal,malonaldehyde, bis dimethyl acetal,1,1,3,3-tetramethoxy-propane,malonaldehyde bis dime,1,3,3-tetramethoxypropane,ksc174o0b,propane,1,3,3-tetramethoxy PubChem CID: 66019 IUPAC Name: 1,1,3,3-tetramethoxypropane SMILES: COC(CC(OC)OC)OC
| PubChem CID | 66019 |
|---|---|
| CAS | 102-52-3 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00008488 |
| SMILES | COC(CC(OC)OC)OC |
| Synonym | propane, 1,1,3,3-tetramethoxy,tetramethoxypropane,malonaldehyde bis dimethyl acetal,malonaldehyde tetramethyl acetal,malonaldehyde, bis dimethyl acetal,1,1,3,3-tetramethoxy-propane,malonaldehyde bis dime,1,3,3-tetramethoxypropane,ksc174o0b,propane,1,3,3-tetramethoxy |
| IUPAC Name | 1,1,3,3-tetramethoxypropane |
| InChI Key | XHTYQFMRBQUCPX-UHFFFAOYSA-N |
| Molecular Formula | C7H16O4 |
Indole-6-carboxaldehyde 98.0+%, TCI America™
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CAS: 1196-70-9 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD02179596 InChI Key: VSPBWOAEHQDXRD-UHFFFAOYSA-N Synonym: indole-6-carboxaldehyde,6-formylindole,1h-indole-6-carboxaldehyde,indole-6-carbaldehyde,6-indolecarboxaldehyde,indole-6-carboxalehyde,6-formyl-1h-indole,indole-6-carboxaldehyde 6-formylindole,6-formyl-indole,6-formyl indole PubChem CID: 2773435 IUPAC Name: 1H-indole-6-carbaldehyde SMILES: C1=CC(=CC2=C1C=CN2)C=O
| PubChem CID | 2773435 |
|---|---|
| CAS | 1196-70-9 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD02179596 |
| SMILES | C1=CC(=CC2=C1C=CN2)C=O |
| Synonym | indole-6-carboxaldehyde,6-formylindole,1h-indole-6-carboxaldehyde,indole-6-carbaldehyde,6-indolecarboxaldehyde,indole-6-carboxalehyde,6-formyl-1h-indole,indole-6-carboxaldehyde 6-formylindole,6-formyl-indole,6-formyl indole |
| IUPAC Name | 1H-indole-6-carbaldehyde |
| InChI Key | VSPBWOAEHQDXRD-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
2',4'-Difluoroacetophenone 98.0+%, TCI America™
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CAS: 364-83-0 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.132 MDL Number: MFCD00151261 InChI Key: QEWHNJPLPZOEKU-UHFFFAOYSA-N Synonym: 2',4'-difluoroacetophenone,1-2,4-difluorophenyl ethanone,2,4-difluoroacetophenone,1-2,4-difluorophenyl ethan-1-one,ethanone, 1-2,4-difluorophenyl,1-2,4-difluoro-phenyl-ethanone,1-acetyl-2,4-difluorobenzene,acetophenone, 2',4'-difluoro,1-2,4-difluorphenyl ethanon,pubchem4213 PubChem CID: 67770 IUPAC Name: 1-(2,4-difluorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)F)F
| PubChem CID | 67770 |
|---|---|
| CAS | 364-83-0 |
| Molecular Weight (g/mol) | 156.132 |
| MDL Number | MFCD00151261 |
| SMILES | CC(=O)C1=C(C=C(C=C1)F)F |
| Synonym | 2',4'-difluoroacetophenone,1-2,4-difluorophenyl ethanone,2,4-difluoroacetophenone,1-2,4-difluorophenyl ethan-1-one,ethanone, 1-2,4-difluorophenyl,1-2,4-difluoro-phenyl-ethanone,1-acetyl-2,4-difluorobenzene,acetophenone, 2',4'-difluoro,1-2,4-difluorphenyl ethanon,pubchem4213 |
| IUPAC Name | 1-(2,4-difluorophenyl)ethanone |
| InChI Key | QEWHNJPLPZOEKU-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
5-Formyl-2-furanboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2734355 |
|---|---|
| CAS | 27329-70-0 |
| Molecular Weight (g/mol) | 139.901 |
| MDL Number | MFCD01114696 |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=C(O1)C=O)(O)O |
| TSCA | No |
| IUPAC Name | (5-formylfuran-2-yl)boronic acid |
| InChI Key | JUWYQISLQJRRNT-UHFFFAOYSA-N |
| Molecular Formula | C5H5BO4 |
| Formula Weight | 139.90 |
| Melting Point | 151°C |
Isoamyl DL-Mandelate 93.0+%, TCI America™
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CAS: 5421-04-5 Molecular Formula: C13H18O3 Molecular Weight (g/mol): 222.28 MDL Number: MFCD00021858 InChI Key: KQQXUARABJGCMS-UHFFFAOYNA-N Synonym: DL-Mandelic Acid Isoamyl Ester, Isopentyl DL-Mandelate, DL-Mandelic Acid Isopentyl Ester PubChem CID: 95396 IUPAC Name: 3-methylbutyl 2-hydroxy-2-phenylacetate SMILES: CC(C)CCOC(=O)C(C1=CC=CC=C1)O
| PubChem CID | 95396 |
|---|---|
| CAS | 5421-04-5 |
| Molecular Weight (g/mol) | 222.28 |
| MDL Number | MFCD00021858 |
| SMILES | CC(C)CCOC(=O)C(C1=CC=CC=C1)O |
| Synonym | DL-Mandelic Acid Isoamyl Ester, Isopentyl DL-Mandelate, DL-Mandelic Acid Isopentyl Ester |
| IUPAC Name | 3-methylbutyl 2-hydroxy-2-phenylacetate |
| InChI Key | KQQXUARABJGCMS-UHFFFAOYNA-N |
| Molecular Formula | C13H18O3 |
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 |
3-(Dimethylamino)acrolein 98.0+%, TCI America™
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CAS: 927-63-9 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.13 MDL Number: MFCD00006999 InChI Key: RRLMPLDPCKRASL-ONEGZZNKSA-N Synonym: 3-dimethylaminoacrolein,3-dimethylaminoacrylaldehyde,3-dimethylamino acrylaldehyde,3-dimethylamino acrolein,2-propenal, 3-dimethylamino,e-3-dimethylamino acrylaldehyde,e-3-dimethylamino prop-2-enal,3-dimethylamino propenal,2e-3-dimethylamino prop-2-enal,.beta.-dimethylamino acrolein PubChem CID: 638320 IUPAC Name: (2E)-3-(dimethylamino)prop-2-enal SMILES: CN(C)\C=C\C=O
| PubChem CID | 638320 |
|---|---|
| CAS | 927-63-9 |
| Molecular Weight (g/mol) | 99.13 |
| MDL Number | MFCD00006999 |
| SMILES | CN(C)\C=C\C=O |
| Synonym | 3-dimethylaminoacrolein,3-dimethylaminoacrylaldehyde,3-dimethylamino acrylaldehyde,3-dimethylamino acrolein,2-propenal, 3-dimethylamino,e-3-dimethylamino acrylaldehyde,e-3-dimethylamino prop-2-enal,3-dimethylamino propenal,2e-3-dimethylamino prop-2-enal,.beta.-dimethylamino acrolein |
| IUPAC Name | (2E)-3-(dimethylamino)prop-2-enal |
| InChI Key | RRLMPLDPCKRASL-ONEGZZNKSA-N |
| Molecular Formula | C5H9NO |
2-Adamantanol 98.0+%, TCI America™
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CAS: 700-57-2 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00074744 InChI Key: FOWDOWQYRZXQDP-UHFFFAOYSA-N Synonym: 2-adamantanol,2-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-2-ol,tricyclo 3.3.1.1∼3,7∼ decan-2-ol,1r,3r,5r,7r-adamantan-2-ol,1-adamantanol;,2alpha-adamantanol,pubchem8753 PubChem CID: 64149 IUPAC Name: adamantan-2-ol SMILES: C1C2CC3CC1CC(C2)C3O
| PubChem CID | 64149 |
|---|---|
| CAS | 700-57-2 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00074744 |
| SMILES | C1C2CC3CC1CC(C2)C3O |
| Synonym | 2-adamantanol,2-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-2-ol,tricyclo 3.3.1.1∼3,7∼ decan-2-ol,1r,3r,5r,7r-adamantan-2-ol,1-adamantanol;,2alpha-adamantanol,pubchem8753 |
| IUPAC Name | adamantan-2-ol |
| InChI Key | FOWDOWQYRZXQDP-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |
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 |
2-Amino-4-methoxybenzothiazole 98.0+%, TCI America™
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CAS: 5464-79-9 Molecular Formula: C8H8N2OS Molecular Weight (g/mol): 180.225 MDL Number: MFCD00005792 InChI Key: YEBCRAVYUWNFQT-UHFFFAOYSA-N Synonym: 2-amino-4-methoxybenzothiazole,4-methoxy-2-aminobenzothiazole,2-benzothiazolamine, 4-methoxy,4-methoxybenzo d thiazol-2-amine,2-amino-4-methoxy-benzothiazole,benzothiazole, 2-amino-4-methoxy,4-methoxy-benzothiazol-2-ylamine,4-methoxybenzothiazol-2-ylamine,4-methoxybenzothiazole-2-ylamine,2-benzothiazolamine, 4-methoxy-9ci PubChem CID: 21622 IUPAC Name: 4-methoxy-1,3-benzothiazol-2-amine SMILES: COC1=C2C(=CC=C1)SC(=N2)N
| PubChem CID | 21622 |
|---|---|
| CAS | 5464-79-9 |
| Molecular Weight (g/mol) | 180.225 |
| MDL Number | MFCD00005792 |
| SMILES | COC1=C2C(=CC=C1)SC(=N2)N |
| Synonym | 2-amino-4-methoxybenzothiazole,4-methoxy-2-aminobenzothiazole,2-benzothiazolamine, 4-methoxy,4-methoxybenzo d thiazol-2-amine,2-amino-4-methoxy-benzothiazole,benzothiazole, 2-amino-4-methoxy,4-methoxy-benzothiazol-2-ylamine,4-methoxybenzothiazol-2-ylamine,4-methoxybenzothiazole-2-ylamine,2-benzothiazolamine, 4-methoxy-9ci |
| IUPAC Name | 4-methoxy-1,3-benzothiazol-2-amine |
| InChI Key | YEBCRAVYUWNFQT-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2OS |
4'-Nitrobiphenyl-4-carboxaldehyde 98.0+%, TCI America™
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CAS: 98648-23-8 Molecular Formula: C13H9NO3 Molecular Weight (g/mol): 227.22 MDL Number: MFCD06200931 InChI Key: MGHIIGWDUVNPPV-UHFFFAOYSA-N PubChem CID: 2763586 IUPAC Name: 4'-nitro-[1,1'-biphenyl]-4-carbaldehyde SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(C=O)C=C1
| PubChem CID | 2763586 |
|---|---|
| CAS | 98648-23-8 |
| Molecular Weight (g/mol) | 227.22 |
| MDL Number | MFCD06200931 |
| SMILES | [O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(C=O)C=C1 |
| IUPAC Name | 4'-nitro-[1,1'-biphenyl]-4-carbaldehyde |
| InChI Key | MGHIIGWDUVNPPV-UHFFFAOYSA-N |
| Molecular Formula | C13H9NO3 |
3-Morpholinone 98.0+%, TCI America™
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CAS: 109-11-5 Molecular Formula: C4H7NO2 Molecular Weight (g/mol): 101.11 MDL Number: MFCD00631009 InChI Key: VSEAAEQOQBMPQF-UHFFFAOYSA-N Synonym: 3-morpholinone,3-ketomorpholine,morpholinone,morpholine-3-one,3-oxomorpholine,3-oxo-morpholine,acmc-1bpa5,ksc180o3n,morpholin-3-one; 3-morpholone PubChem CID: 66953 IUPAC Name: morpholin-3-one SMILES: O=C1COCCN1
| PubChem CID | 66953 |
|---|---|
| CAS | 109-11-5 |
| Molecular Weight (g/mol) | 101.11 |
| MDL Number | MFCD00631009 |
| SMILES | O=C1COCCN1 |
| Synonym | 3-morpholinone,3-ketomorpholine,morpholinone,morpholine-3-one,3-oxomorpholine,3-oxo-morpholine,acmc-1bpa5,ksc180o3n,morpholin-3-one; 3-morpholone |
| IUPAC Name | morpholin-3-one |
| InChI Key | VSEAAEQOQBMPQF-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO2 |