Organooxygen compounds
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Hydrindantin Dihydrate 97.0+%, TCI America™
CAS: 16289-95-5 Molecular Formula: C18H14O8 Molecular Weight (g/mol): 358.30 MDL Number: MFCD00149242 InChI Key: QIAIXVRAKYAOGJ-UHFFFAOYSA-N PubChem CID: 23216254 IUPAC Name: 2,2'-dihydroxy-1H,1'H,2H,2'H,3H,3'H-[2,2'-biindene]-1,1',3,3'-tetrone dihydrate SMILES: O.O.OC1(C(=O)C2=CC=CC=C2C1=O)C1(O)C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 23216254 |
|---|---|
| CAS | 16289-95-5 |
| Molecular Weight (g/mol) | 358.30 |
| MDL Number | MFCD00149242 |
| SMILES | O.O.OC1(C(=O)C2=CC=CC=C2C1=O)C1(O)C(=O)C2=CC=CC=C2C1=O |
| IUPAC Name | 2,2'-dihydroxy-1H,1'H,2H,2'H,3H,3'H-[2,2'-biindene]-1,1',3,3'-tetrone dihydrate |
| InChI Key | QIAIXVRAKYAOGJ-UHFFFAOYSA-N |
| Molecular Formula | C18H14O8 |
L-(-)-Sorbose 98.0+%, TCI America™
CAS: 87-79-6 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00151097 InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N Synonym: l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose PubChem CID: 6904 ChEBI: CHEBI:13172 IUPAC Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 6904 |
|---|---|
| CAS | 87-79-6 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:13172 |
| MDL Number | MFCD00151097 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| Synonym | l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose |
| IUPAC Name | (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-OTWZMJIISA-N |
| Molecular Formula | C6H12O6 |
2,2,2-Trifluoro-3'-nitroacetophenone 98.0+%, TCI America™
CAS: 657-15-8 Molecular Formula: C8H4F3NO3 Molecular Weight (g/mol): 219.119 MDL Number: MFCD00034541 InChI Key: QADCNGZPRUSTJL-UHFFFAOYSA-N PubChem CID: 69566 IUPAC Name: 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F
| PubChem CID | 69566 |
|---|---|
| CAS | 657-15-8 |
| Molecular Weight (g/mol) | 219.119 |
| MDL Number | MFCD00034541 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F |
| IUPAC Name | 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone |
| InChI Key | QADCNGZPRUSTJL-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO3 |
4-Bromoisatin 98.0+%, TCI America™
CAS: 20780-72-7 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 InChI Key: ITRAKBJPMLKWIW-UHFFFAOYSA-N Synonym: 4-Bromoindole-2,3-dione, 4-Bromo-2,3-indolinedione PubChem CID: 4500012 IUPAC Name: 4-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2
| PubChem CID | 4500012 |
|---|---|
| CAS | 20780-72-7 |
| Molecular Weight (g/mol) | 226.029 |
| SMILES | C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 |
| Synonym | 4-Bromoindole-2,3-dione, 4-Bromo-2,3-indolinedione |
| IUPAC Name | 4-bromo-1H-indole-2,3-dione |
| InChI Key | ITRAKBJPMLKWIW-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
Hexafluoroacetone Hydrate 97.0+%, TCI America™
CAS: 34202-69-2 Molecular Formula: C3H6F6O4 Molecular Weight (g/mol): 220.067 MDL Number: MFCD00149061 InChI Key: SNZAEUWCEHDROX-UHFFFAOYSA-N Synonym: hexafluoroacetone trihydrate,1,1,1,3,3,3-hexafluoropropan-2-one trihydrate,2-propanone, hexafluoro-, trihydrate,hfa trihydrate,acetone, hexafluoro-, trihydrate,2-propanone, 1,1,1,3,3,3-hexafluoro-, trihydrate,perfluoroacetone trihydrate,hexafluoro-2-propanone trihydrate,hexafluoro-2-propanone trihydrate; perfluoroacetone trihydrate,hexafluoroacetonetrihydrate PubChem CID: 36719 IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-one;trihydrate SMILES: C(=O)(C(F)(F)F)C(F)(F)F.O.O.O
| PubChem CID | 36719 |
|---|---|
| CAS | 34202-69-2 |
| Molecular Weight (g/mol) | 220.067 |
| MDL Number | MFCD00149061 |
| SMILES | C(=O)(C(F)(F)F)C(F)(F)F.O.O.O |
| Synonym | hexafluoroacetone trihydrate,1,1,1,3,3,3-hexafluoropropan-2-one trihydrate,2-propanone, hexafluoro-, trihydrate,hfa trihydrate,acetone, hexafluoro-, trihydrate,2-propanone, 1,1,1,3,3,3-hexafluoro-, trihydrate,perfluoroacetone trihydrate,hexafluoro-2-propanone trihydrate,hexafluoro-2-propanone trihydrate; perfluoroacetone trihydrate,hexafluoroacetonetrihydrate |
| IUPAC Name | 1,1,1,3,3,3-hexafluoropropan-2-one;trihydrate |
| InChI Key | SNZAEUWCEHDROX-UHFFFAOYSA-N |
| Molecular Formula | C3H6F6O4 |
Hexanophenone 98.0+%, TCI America™
CAS: 942-92-7 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 MDL Number: MFCD00009512 InChI Key: MAHPVQDVMLWUAG-UHFFFAOYSA-N Synonym: hexanophenone,caprophenone,1-hexanone, 1-phenyl,1-phenyl-1-hexanone,n-hexanophenone,amyl phenyl ketone,hexaphenone,pentyl phenyl ketone,4-ethylbutyrophenone,n-amylphenyl ketone PubChem CID: 70337 IUPAC Name: 1-phenylhexan-1-one SMILES: CCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 70337 |
|---|---|
| CAS | 942-92-7 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00009512 |
| SMILES | CCCCCC(=O)C1=CC=CC=C1 |
| Synonym | hexanophenone,caprophenone,1-hexanone, 1-phenyl,1-phenyl-1-hexanone,n-hexanophenone,amyl phenyl ketone,hexaphenone,pentyl phenyl ketone,4-ethylbutyrophenone,n-amylphenyl ketone |
| IUPAC Name | 1-phenylhexan-1-one |
| InChI Key | MAHPVQDVMLWUAG-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
4H-Indeno[1,2-b]thiophen-4-one 98.0+%, TCI America™
CAS: 5706-08-1 Molecular Formula: C11H6OS Molecular Weight (g/mol): 186.23 InChI Key: WSOJIQBCVMSHLB-UHFFFAOYSA-N PubChem CID: 12872762 IUPAC Name: indeno[1,2-b]thiophen-4-one SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=CS3
| PubChem CID | 12872762 |
|---|---|
| CAS | 5706-08-1 |
| Molecular Weight (g/mol) | 186.23 |
| SMILES | C1=CC=C2C(=C1)C3=C(C2=O)C=CS3 |
| IUPAC Name | indeno[1,2-b]thiophen-4-one |
| InChI Key | WSOJIQBCVMSHLB-UHFFFAOYSA-N |
| Molecular Formula | C11H6OS |
Emodin 96.0+%, TCI America™
CAS: 518-82-1 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00001207 InChI Key: RHMXXJGYXNZAPX-UHFFFAOYSA-N Synonym: emodin,schuttgelb,emodol,frangula emodin,rheum emodin,frangulic acid,3-methyl-1,6,8-trihydroxyanthraquinone,archin,persian berry lake,1,3,8-trihydroxy-6-methyl-9,10-anthraquinone PubChem CID: 3220 ChEBI: CHEBI:42223 IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O
| PubChem CID | 3220 |
|---|---|
| CAS | 518-82-1 |
| Molecular Weight (g/mol) | 270.24 |
| ChEBI | CHEBI:42223 |
| MDL Number | MFCD00001207 |
| SMILES | CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O |
| Synonym | emodin,schuttgelb,emodol,frangula emodin,rheum emodin,frangulic acid,3-methyl-1,6,8-trihydroxyanthraquinone,archin,persian berry lake,1,3,8-trihydroxy-6-methyl-9,10-anthraquinone |
| IUPAC Name | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
| InChI Key | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
2-Butyl-3-(4-hydroxy-3,5-diiodobenzoyl)benzofuran 98.0+%, TCI America™
CAS: 1951-26-4 Molecular Formula: C19H16I2O3 Molecular Weight (g/mol): 546.143 MDL Number: MFCD02675787 InChI Key: PNFMEGSMKIHDFZ-UHFFFAOYSA-N Synonym: (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone PubChem CID: 74769 ChEBI: CHEBI:79661 IUPAC Name: (2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I
| PubChem CID | 74769 |
|---|---|
| CAS | 1951-26-4 |
| Molecular Weight (g/mol) | 546.143 |
| ChEBI | CHEBI:79661 |
| MDL Number | MFCD02675787 |
| SMILES | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I |
| Synonym | (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone |
| IUPAC Name | (2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone |
| InChI Key | PNFMEGSMKIHDFZ-UHFFFAOYSA-N |
| Molecular Formula | C19H16I2O3 |
2-Propionylthiophene 98.0+%, TCI America™
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 |
5-Methyl-2,3-hexanedione 94.0+%, TCI America™
CAS: 13706-86-0 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00059352 InChI Key: PQCLJXVUAWLNSV-UHFFFAOYSA-N Synonym: Acetylisovaleryl PubChem CID: 26204 IUPAC Name: 5-methylhexane-2,3-dione SMILES: CC(C)CC(=O)C(C)=O
| PubChem CID | 26204 |
|---|---|
| CAS | 13706-86-0 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00059352 |
| SMILES | CC(C)CC(=O)C(C)=O |
| Synonym | Acetylisovaleryl |
| IUPAC Name | 5-methylhexane-2,3-dione |
| InChI Key | PQCLJXVUAWLNSV-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
2-(4-Chlorobenzoyl)pyridine 97.0+%, TCI America™
CAS: 6318-51-0 Molecular Formula: C12H8ClNO Molecular Weight (g/mol): 217.65 MDL Number: MFCD02930888 InChI Key: KHXSJSBQIWAIEG-UHFFFAOYSA-N Synonym: 4-Chlorophenyl 2-Pyridyl Ketone PubChem CID: 80594 IUPAC Name: 2-(4-chlorobenzoyl)pyridine SMILES: ClC1=CC=C(C=C1)C(=O)C1=CC=CC=N1
| PubChem CID | 80594 |
|---|---|
| CAS | 6318-51-0 |
| Molecular Weight (g/mol) | 217.65 |
| MDL Number | MFCD02930888 |
| SMILES | ClC1=CC=C(C=C1)C(=O)C1=CC=CC=N1 |
| Synonym | 4-Chlorophenyl 2-Pyridyl Ketone |
| IUPAC Name | 2-(4-chlorobenzoyl)pyridine |
| InChI Key | KHXSJSBQIWAIEG-UHFFFAOYSA-N |
| Molecular Formula | C12H8ClNO |
4-Bromo-1-indanone 97.0+%, TCI America™
CAS: 15115-60-3 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.06 MDL Number: MFCD01719772 InChI Key: UVVYFYLSZIMKMC-UHFFFAOYSA-N Synonym: 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone PubChem CID: 98713 IUPAC Name: 4-bromo-2,3-dihydro-1H-inden-1-one SMILES: BrC1=CC=CC2=C1CCC2=O
| PubChem CID | 98713 |
|---|---|
| CAS | 15115-60-3 |
| Molecular Weight (g/mol) | 211.06 |
| MDL Number | MFCD01719772 |
| SMILES | BrC1=CC=CC2=C1CCC2=O |
| Synonym | 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone |
| IUPAC Name | 4-bromo-2,3-dihydro-1H-inden-1-one |
| InChI Key | UVVYFYLSZIMKMC-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO |
2',6'-Dimethoxyacetophenone 98.0+%, TCI America™
CAS: 2040-04-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00008729 InChI Key: XEUGKOFTNAYMMX-UHFFFAOYSA-N Synonym: 2',6'-dimethoxyacetophenone,1-2,6-dimethoxyphenyl ethanone,2,6-dimethoxyacetophenone,acetophenone, 2',6'-dimethoxy,1-2,6-dimethoxyphenyl ethan-1-one,ethanone, 1-2,6-dimethoxyphenyl,usaf k-2801,2,6-dimethoxy acetophenone,1-acetyl-2,6-dimethoxybenzene,pubchem3380 PubChem CID: 16267 IUPAC Name: 1-(2,6-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1OC)OC
| PubChem CID | 16267 |
|---|---|
| CAS | 2040-04-2 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00008729 |
| SMILES | CC(=O)C1=C(C=CC=C1OC)OC |
| Synonym | 2',6'-dimethoxyacetophenone,1-2,6-dimethoxyphenyl ethanone,2,6-dimethoxyacetophenone,acetophenone, 2',6'-dimethoxy,1-2,6-dimethoxyphenyl ethan-1-one,ethanone, 1-2,6-dimethoxyphenyl,usaf k-2801,2,6-dimethoxy acetophenone,1-acetyl-2,6-dimethoxybenzene,pubchem3380 |
| IUPAC Name | 1-(2,6-dimethoxyphenyl)ethanone |
| InChI Key | XEUGKOFTNAYMMX-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
5-Bromoisatin 97.0+%, TCI America™
CAS: 87-48-9 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 MDL Number: MFCD00005719 InChI Key: MBVCESWADCIXJN-UHFFFAOYSA-N Synonym: 5-bromoisatin,5-bromoindoline-2,3-dione,5-bromoindole-2,3-dione,isatin, 5-bromo,5-bromisatin,1h-indole-2,3-dione, 5-bromo,5-bromisatin czech,5-bromo-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-bromo,5-bromoisatin monohydrate PubChem CID: 6889 IUPAC Name: 5-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1Br)C(=O)C(=O)N2
| PubChem CID | 6889 |
|---|---|
| CAS | 87-48-9 |
| Molecular Weight (g/mol) | 226.029 |
| MDL Number | MFCD00005719 |
| SMILES | C1=CC2=C(C=C1Br)C(=O)C(=O)N2 |
| Synonym | 5-bromoisatin,5-bromoindoline-2,3-dione,5-bromoindole-2,3-dione,isatin, 5-bromo,5-bromisatin,1h-indole-2,3-dione, 5-bromo,5-bromisatin czech,5-bromo-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-bromo,5-bromoisatin monohydrate |
| IUPAC Name | 5-bromo-1H-indole-2,3-dione |
| InChI Key | MBVCESWADCIXJN-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |