Organooxygen compounds
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2-Phenoxyacetophenone 98.0+%, TCI America™
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CAS: 721-04-0 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00156689 InChI Key: KRSXGTAVHIDVPM-UHFFFAOYSA-N PubChem CID: 222171 ChEBI: CHEBI:52401 IUPAC Name: 2-phenoxy-1-phenylethan-1-one SMILES: O=C(COC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 222171 |
|---|---|
| CAS | 721-04-0 |
| Molecular Weight (g/mol) | 212.25 |
| ChEBI | CHEBI:52401 |
| MDL Number | MFCD00156689 |
| SMILES | O=C(COC1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 2-phenoxy-1-phenylethan-1-one |
| InChI Key | KRSXGTAVHIDVPM-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
2',4',6'-Trihydroxyacetophenone Monohydrate 98.0+%, TCI America™
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CAS: 480-66-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002287 InChI Key: XLEYFDVVXLMULC-UHFFFAOYSA-N Synonym: 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone PubChem CID: 68073 ChEBI: CHEBI:64344 IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=C(O)C=C(O)C=C1O
| PubChem CID | 68073 |
|---|---|
| CAS | 480-66-0 |
| Molecular Weight (g/mol) | 168.15 |
| ChEBI | CHEBI:64344 |
| MDL Number | MFCD00002287 |
| SMILES | CC(=O)C1=C(O)C=C(O)C=C1O |
| Synonym | 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone |
| IUPAC Name | 1-(2,4,6-trihydroxyphenyl)ethan-1-one |
| InChI Key | XLEYFDVVXLMULC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
6,7-Dihydro-1H-indeno[5,4-b]furan-8(2H)-one 98.0+%, TCI America™
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CAS: 196597-78-1 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.199 MDL Number: MFCD09955085 InChI Key: ZZUIZMWFNOKNLN-UHFFFAOYSA-N Synonym: 1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one PubChem CID: 11137616 IUPAC Name: 1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one SMILES: C1CC(=O)C2=C1C=CC3=C2CCO3
| PubChem CID | 11137616 |
|---|---|
| CAS | 196597-78-1 |
| Molecular Weight (g/mol) | 174.199 |
| MDL Number | MFCD09955085 |
| SMILES | C1CC(=O)C2=C1C=CC3=C2CCO3 |
| Synonym | 1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one |
| IUPAC Name | 1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one |
| InChI Key | ZZUIZMWFNOKNLN-UHFFFAOYSA-N |
| Molecular Formula | C11H10O2 |
2-Methyl-1,3-dioxolane 98.0+%, TCI America™
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CAS: 497-26-7 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00003210 InChI Key: HTWIZMNMTWYQRN-UHFFFAOYSA-N Synonym: 1,3-dioxolane, 2-methyl,2-methyldioxole,2-methyldioxolane,methyldioxolane,methyl dioxolane,2-methyl-1,3-dioxacyclopentane,dioxolane, methyl,unii-94w0r6v90a,acetaldehyde ethylene acetal,methyl-1,3-dioxolane PubChem CID: 10342 IUPAC Name: 2-methyl-1,3-dioxolane SMILES: CC1OCCO1
| PubChem CID | 10342 |
|---|---|
| CAS | 497-26-7 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00003210 |
| SMILES | CC1OCCO1 |
| Synonym | 1,3-dioxolane, 2-methyl,2-methyldioxole,2-methyldioxolane,methyldioxolane,methyl dioxolane,2-methyl-1,3-dioxacyclopentane,dioxolane, methyl,unii-94w0r6v90a,acetaldehyde ethylene acetal,methyl-1,3-dioxolane |
| IUPAC Name | 2-methyl-1,3-dioxolane |
| InChI Key | HTWIZMNMTWYQRN-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
Ethyl 3-Oxoheptanoate 95.0+%, TCI America™
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CAS: 7737-62-4 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00143188 InChI Key: UKRVECBFDMVBPU-UHFFFAOYSA-N Synonym: Ethyl 3-Oxoenanthate, 3-Oxoheptanoic Acid Ethyl Ester, 3-Ketoheptanoic Acid Ethyl Ester, 3-Oxoenanthic Acid Ethyl Ester PubChem CID: 559036 IUPAC Name: ethyl 3-oxoheptanoate SMILES: CCCCC(=O)CC(=O)OCC
| PubChem CID | 559036 |
|---|---|
| CAS | 7737-62-4 |
| Molecular Weight (g/mol) | 172.22 |
| MDL Number | MFCD00143188 |
| SMILES | CCCCC(=O)CC(=O)OCC |
| Synonym | Ethyl 3-Oxoenanthate, 3-Oxoheptanoic Acid Ethyl Ester, 3-Ketoheptanoic Acid Ethyl Ester, 3-Oxoenanthic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-oxoheptanoate |
| InChI Key | UKRVECBFDMVBPU-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
trans-4-(Hydroxymethyl)cyclohexanecarboxylic Acid 98.0+%, TCI America™
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CAS: 66185-74-8 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD10566907,MFCD01734677,MFCD10566906 InChI Key: VQMIUUBKKPIDBN-UHFFFAOYSA-N PubChem CID: 202819 IUPAC Name: 4-(hydroxymethyl)cyclohexane-1-carboxylic acid SMILES: OCC1CCC(CC1)C(O)=O
| PubChem CID | 202819 |
|---|---|
| CAS | 66185-74-8 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD10566907,MFCD01734677,MFCD10566906 |
| SMILES | OCC1CCC(CC1)C(O)=O |
| IUPAC Name | 4-(hydroxymethyl)cyclohexane-1-carboxylic acid |
| InChI Key | VQMIUUBKKPIDBN-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Hexafluoroacetylacetone 95.0+%, TCI America™
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CAS: 1522-22-1 Molecular Formula: C5H2F6O2 Molecular Weight (g/mol): 208.059 MDL Number: MFCD00000426 InChI Key: QAMFBRUWYYMMGJ-UHFFFAOYSA-N Synonym: hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoro-2,4-pentanedione,2,4-pentanedione, 1,1,1,5,5,5-hexafluoro,hexafluoro-2,4-pentanedione,hfac,1,1,1,5,5,5-hexafluoro-2,4-pentadione,1,3-bis trifluoromethyl propane-1,3-dione,1,1,1-trifluoro-3-trifluoroacetyl acetone,2,4-dioxo-1,1,1,5,5,5-hexafluoropentane PubChem CID: 73706 IUPAC Name: 1,1,1,5,5,5-hexafluoropentane-2,4-dione SMILES: C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
| PubChem CID | 73706 |
|---|---|
| CAS | 1522-22-1 |
| Molecular Weight (g/mol) | 208.059 |
| MDL Number | MFCD00000426 |
| SMILES | C(C(=O)C(F)(F)F)C(=O)C(F)(F)F |
| Synonym | hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoro-2,4-pentanedione,2,4-pentanedione, 1,1,1,5,5,5-hexafluoro,hexafluoro-2,4-pentanedione,hfac,1,1,1,5,5,5-hexafluoro-2,4-pentadione,1,3-bis trifluoromethyl propane-1,3-dione,1,1,1-trifluoro-3-trifluoroacetyl acetone,2,4-dioxo-1,1,1,5,5,5-hexafluoropentane |
| IUPAC Name | 1,1,1,5,5,5-hexafluoropentane-2,4-dione |
| InChI Key | QAMFBRUWYYMMGJ-UHFFFAOYSA-N |
| Molecular Formula | C5H2F6O2 |
2-Acetyl-5-bromothiophene 98.0+%, TCI America™
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CAS: 5370-25-2 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.069 MDL Number: MFCD00014528 InChI Key: IGBZCOWXSCWSHO-UHFFFAOYSA-N Synonym: 2-acetyl-5-bromothiophene,1-5-bromothiophen-2-yl ethanone,ethanone, 1-5-bromo-2-thienyl,1-5-bromo-2-thienyl ethan-1-one,1-5-bromothiophen-2-yl ethan-1-one,5-bromo-2-thienyl methyl ketone,2-acetyl-5-bromo thiophene,ketone, 5-bromo-2-thienyl methyl,2-acetyl-5-bromo-thiophene,1-5-bromo-2-thienyl ethanone PubChem CID: 79335 IUPAC Name: 1-(5-bromothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Br
| PubChem CID | 79335 |
|---|---|
| CAS | 5370-25-2 |
| Molecular Weight (g/mol) | 205.069 |
| MDL Number | MFCD00014528 |
| SMILES | CC(=O)C1=CC=C(S1)Br |
| Synonym | 2-acetyl-5-bromothiophene,1-5-bromothiophen-2-yl ethanone,ethanone, 1-5-bromo-2-thienyl,1-5-bromo-2-thienyl ethan-1-one,1-5-bromothiophen-2-yl ethan-1-one,5-bromo-2-thienyl methyl ketone,2-acetyl-5-bromo thiophene,ketone, 5-bromo-2-thienyl methyl,2-acetyl-5-bromo-thiophene,1-5-bromo-2-thienyl ethanone |
| IUPAC Name | 1-(5-bromothiophen-2-yl)ethanone |
| InChI Key | IGBZCOWXSCWSHO-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrOS |
(3-Chlorobenzoyl)acetonitrile 97.0+%, TCI America™
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CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N
| PubChem CID | 140855 |
|---|---|
| CAS | 21667-62-9 |
| Molecular Weight (g/mol) | 179.60 |
| MDL Number | MFCD00067891 |
| SMILES | ClC1=CC=CC(=C1)C(=O)CC#N |
| Synonym | 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 |
| IUPAC Name | 3-(3-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | IUDFNNHFARLIPF-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
Methoxymethyltrimethylsilane 95.0+%, TCI America™
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CAS: 14704-14-4 Molecular Formula: C5H14OSi Molecular Weight (g/mol): 118.25 MDL Number: MFCD00009843 InChI Key: PPNQXAYCPNTVHH-UHFFFAOYSA-N Synonym: Trimethylsilylmethyl Methyl Ether PubChem CID: 139809 IUPAC Name: (methoxymethyl)trimethylsilane SMILES: COC[Si](C)(C)C
| PubChem CID | 139809 |
|---|---|
| CAS | 14704-14-4 |
| Molecular Weight (g/mol) | 118.25 |
| MDL Number | MFCD00009843 |
| SMILES | COC[Si](C)(C)C |
| Synonym | Trimethylsilylmethyl Methyl Ether |
| IUPAC Name | (methoxymethyl)trimethylsilane |
| InChI Key | PPNQXAYCPNTVHH-UHFFFAOYSA-N |
| Molecular Formula | C5H14OSi |
2-Acetyl-5-methylthiophene 96.0+%, TCI America™
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CAS: 13679-74-8 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.20 MDL Number: MFCD00014529 InChI Key: YOSDTJYMDAEEAZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-methylthiophene,1-5-methylthiophen-2-yl ethanone,ketone, methyl 5-methyl-2-thienyl,1-5-methyl-2-thienyl ethan-1-one,2-methyl-5-acetylthiophene,ethanone, 1-5-methyl-2-thienyl,methylthienylcetone,1-5-methyl-2-thienyl ethanone,5-methyl-2-acetylthiophene,methyl 5-methyl-2-thienyl ketone PubChem CID: 83655 IUPAC Name: 1-(5-methylthiophen-2-yl)ethan-1-one SMILES: CC(=O)C1=CC=C(C)S1
| PubChem CID | 83655 |
|---|---|
| CAS | 13679-74-8 |
| Molecular Weight (g/mol) | 140.20 |
| MDL Number | MFCD00014529 |
| SMILES | CC(=O)C1=CC=C(C)S1 |
| Synonym | 2-acetyl-5-methylthiophene,1-5-methylthiophen-2-yl ethanone,ketone, methyl 5-methyl-2-thienyl,1-5-methyl-2-thienyl ethan-1-one,2-methyl-5-acetylthiophene,ethanone, 1-5-methyl-2-thienyl,methylthienylcetone,1-5-methyl-2-thienyl ethanone,5-methyl-2-acetylthiophene,methyl 5-methyl-2-thienyl ketone |
| IUPAC Name | 1-(5-methylthiophen-2-yl)ethan-1-one |
| InChI Key | YOSDTJYMDAEEAZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8OS |
3-Acetyl-2,5-dichlorothiophene 98.0+%, TCI America™
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CAS: 36157-40-1 Molecular Formula: C6H4Cl2OS Molecular Weight (g/mol): 195.057 MDL Number: MFCD00014522 InChI Key: GYFDNIRENHZKGR-UHFFFAOYSA-N Synonym: 3-acetyl-2,5-dichlorothiophene,1-2,5-dichlorothiophen-3-yl ethanone,1-2,5-dichloro-3-thienyl ethan-1-one,1-2,5-dichlorothiophen-3-yl ethan-1-one,1-2,5-dichloro-3-thienyl ethanone,2,5-dichloro-3-thienyl methyl ketone,ethanone, 1-2,5-dichloro-3-thienyl,1-2,5-dichloro-thiophen-3-yl-ethanone,1-2,5-dichlorothien-3-yl ethan-1-one,zlchem 481 PubChem CID: 118920 IUPAC Name: 1-(2,5-dichlorothiophen-3-yl)ethanone SMILES: CC(=O)C1=C(SC(=C1)Cl)Cl
| PubChem CID | 118920 |
|---|---|
| CAS | 36157-40-1 |
| Molecular Weight (g/mol) | 195.057 |
| MDL Number | MFCD00014522 |
| SMILES | CC(=O)C1=C(SC(=C1)Cl)Cl |
| Synonym | 3-acetyl-2,5-dichlorothiophene,1-2,5-dichlorothiophen-3-yl ethanone,1-2,5-dichloro-3-thienyl ethan-1-one,1-2,5-dichlorothiophen-3-yl ethan-1-one,1-2,5-dichloro-3-thienyl ethanone,2,5-dichloro-3-thienyl methyl ketone,ethanone, 1-2,5-dichloro-3-thienyl,1-2,5-dichloro-thiophen-3-yl-ethanone,1-2,5-dichlorothien-3-yl ethan-1-one,zlchem 481 |
| IUPAC Name | 1-(2,5-dichlorothiophen-3-yl)ethanone |
| InChI Key | GYFDNIRENHZKGR-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl2OS |
cis-3,3,5-Trimethylcyclohexanol 96.0+%, TCI America™
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CAS: 933-48-2 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.242 MDL Number: MFCD00070479 InChI Key: BRRVXFOKWJKTGG-JGVFFNPUSA-N PubChem CID: 1550823 IUPAC Name: (1R,5R)-3,3,5-trimethylcyclohexan-1-ol SMILES: CC1CC(CC(C1)(C)C)O
| PubChem CID | 1550823 |
|---|---|
| CAS | 933-48-2 |
| Molecular Weight (g/mol) | 142.242 |
| MDL Number | MFCD00070479 |
| SMILES | CC1CC(CC(C1)(C)C)O |
| IUPAC Name | (1R,5R)-3,3,5-trimethylcyclohexan-1-ol |
| InChI Key | BRRVXFOKWJKTGG-JGVFFNPUSA-N |
| Molecular Formula | C9H18O |
3,4-Dimethoxy-3-cyclobutene-1,2-dione 98.0+%, TCI America™
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CAS: 5222-73-1 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00101316 InChI Key: SZBNZTGCAMLMJY-UHFFFAOYSA-N PubChem CID: 123227 IUPAC Name: 3,4-dimethoxycyclobut-3-ene-1,2-dione SMILES: COC1=C(C(=O)C1=O)OC
| PubChem CID | 123227 |
|---|---|
| CAS | 5222-73-1 |
| Molecular Weight (g/mol) | 142.11 |
| MDL Number | MFCD00101316 |
| SMILES | COC1=C(C(=O)C1=O)OC |
| IUPAC Name | 3,4-dimethoxycyclobut-3-ene-1,2-dione |
| InChI Key | SZBNZTGCAMLMJY-UHFFFAOYSA-N |
| Molecular Formula | C6H6O4 |
Allyl Butyl Ether 97.0+%, TCI America™
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CAS: 3739-64-8 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00009460 InChI Key: IBTLFDCPAJLATQ-UHFFFAOYSA-N Synonym: allyl butyl ether,ether, allyl butyl,butyl allyl ether,allyl n-butyl ether,1-allyloxy butane,butane, 1-2-propenyloxy,allyln-butylether,acmc-1cncm,3-butoxy-1-propene # PubChem CID: 77332 IUPAC Name: 1-(prop-2-en-1-yloxy)butane SMILES: CCCCOCC=C
| PubChem CID | 77332 |
|---|---|
| CAS | 3739-64-8 |
| Molecular Weight (g/mol) | 114.19 |
| MDL Number | MFCD00009460 |
| SMILES | CCCCOCC=C |
| Synonym | allyl butyl ether,ether, allyl butyl,butyl allyl ether,allyl n-butyl ether,1-allyloxy butane,butane, 1-2-propenyloxy,allyln-butylether,acmc-1cncm,3-butoxy-1-propene # |
| IUPAC Name | 1-(prop-2-en-1-yloxy)butane |
| InChI Key | IBTLFDCPAJLATQ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |