Organooxygen compounds
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2-Ethyl-4-methyl-1,3-dioxolane, cis + trans, 99%
CAS: 4359-46-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD16622267 InChI Key: CSZCLQLJVFLXLI-UHFFFAOYSA-N Synonym: 1,3-dioxolane, 2-ethyl-4-methyl,1,3-dioxolane,2-ethyl-4-methyl,cis,1,2-propanediol acetal,1,3-dioxolane, 2-ethyl-4-methyl-, cis,cis-2-thyl-4-methyl-1,3-dioxolane,2-ethyl-4-methyl-1,3-dioxolane, cis + trans,solution in acetonitrile 1000mg/l PubChem CID: 92210 IUPAC Name: 2-ethyl-4-methyl-1,3-dioxolane SMILES: CCC1OCC(O1)C
| PubChem CID | 92210 |
|---|---|
| CAS | 4359-46-0 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD16622267 |
| SMILES | CCC1OCC(O1)C |
| Synonym | 1,3-dioxolane, 2-ethyl-4-methyl,1,3-dioxolane,2-ethyl-4-methyl,cis,1,2-propanediol acetal,1,3-dioxolane, 2-ethyl-4-methyl-, cis,cis-2-thyl-4-methyl-1,3-dioxolane,2-ethyl-4-methyl-1,3-dioxolane, cis + trans,solution in acetonitrile 1000mg/l |
| IUPAC Name | 2-ethyl-4-methyl-1,3-dioxolane |
| InChI Key | CSZCLQLJVFLXLI-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
5-Bromo-2-isopropoxypyridine, 97%
CAS: 870521-31-6 Molecular Formula: C8H10BrNO Molecular Weight (g/mol): 216.08 MDL Number: MFCD07368869 InChI Key: FSZRSTNRZUIEMA-UHFFFAOYSA-N Synonym: 5-bromo-2-isopropoxypyridine,5-bromo-2-propan-2-yloxy pyridine,5-bromo-2-isopropoxy-pyridine,3-bromo-6-i-propoxy pyridine,pyridine, 5-bromo-2-1-methylethoxy,pubchem22060,acmc-209qd4,2-isopropoxy-5-bromo-pyridine,5-bromo-2-iso-propoxypyridine,5-bromo-2-isopropyloxypyridine PubChem CID: 21935068 IUPAC Name: 5-bromo-2-propan-2-yloxypyridine SMILES: CC(C)OC1=NC=C(Br)C=C1
| PubChem CID | 21935068 |
|---|---|
| CAS | 870521-31-6 |
| Molecular Weight (g/mol) | 216.08 |
| MDL Number | MFCD07368869 |
| SMILES | CC(C)OC1=NC=C(Br)C=C1 |
| Synonym | 5-bromo-2-isopropoxypyridine,5-bromo-2-propan-2-yloxy pyridine,5-bromo-2-isopropoxy-pyridine,3-bromo-6-i-propoxy pyridine,pyridine, 5-bromo-2-1-methylethoxy,pubchem22060,acmc-209qd4,2-isopropoxy-5-bromo-pyridine,5-bromo-2-iso-propoxypyridine,5-bromo-2-isopropyloxypyridine |
| IUPAC Name | 5-bromo-2-propan-2-yloxypyridine |
| InChI Key | FSZRSTNRZUIEMA-UHFFFAOYSA-N |
| Molecular Formula | C8H10BrNO |
4-Hydroxy-3-(trifluoromethoxy)benzaldehyde, 98+%, Thermo Scientific Chemicals
CAS: 53104-95-3 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD04973780 InChI Key: GPJSLRQIOKFRFL-UHFFFAOYSA-N Synonym: 4-hydroxy-3-trifluoromethoxy benzaldehyde,benzaldehyde, 4-hydroxy-3-trifluoromethoxy,4-hydroxy-3-trifluoromethoxy benzaldehyde, 98+%,4-oxidanyl-3-trifluoromethyloxy benzaldehyde PubChem CID: 7018050 IUPAC Name: 4-hydroxy-3-(trifluoromethoxy)benzaldehyde SMILES: OC1=C(OC(F)(F)F)C=C(C=O)C=C1
| PubChem CID | 7018050 |
|---|---|
| CAS | 53104-95-3 |
| Molecular Weight (g/mol) | 206.12 |
| MDL Number | MFCD04973780 |
| SMILES | OC1=C(OC(F)(F)F)C=C(C=O)C=C1 |
| Synonym | 4-hydroxy-3-trifluoromethoxy benzaldehyde,benzaldehyde, 4-hydroxy-3-trifluoromethoxy,4-hydroxy-3-trifluoromethoxy benzaldehyde, 98+%,4-oxidanyl-3-trifluoromethyloxy benzaldehyde |
| IUPAC Name | 4-hydroxy-3-(trifluoromethoxy)benzaldehyde |
| InChI Key | GPJSLRQIOKFRFL-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O3 |
2-(2-Ethoxyethoxy) Ethyl Acetate, 99%, Spectrum™ Chemical
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CAS: 112-15-2 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 InChI Key: FPZWZCWUIYYYBU-UHFFFAOYSA-N IUPAC Name: 2-(2-ethoxyethoxy)ethyl acetate SMILES: CCOCCOCCOC(C)=O
| CAS | 112-15-2 |
|---|---|
| Molecular Weight (g/mol) | 176.21 |
| SMILES | CCOCCOCCOC(C)=O |
| IUPAC Name | 2-(2-ethoxyethoxy)ethyl acetate |
| InChI Key | FPZWZCWUIYYYBU-UHFFFAOYSA-N |
| Molecular Formula | C8H16O4 |
β-D-(-)-Fructose, MP Biomedicals
CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 5984 |
|---|---|
| CAS | 57-48-7 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:48095 |
| MDL Number | MFCD00148910 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| Synonym | d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 |
| IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| Molecular Formula | C6H12O6 |
4-Methoxybenzoylacetonitrile, 98%
CAS: 3672-47-7 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00067889 InChI Key: IKEPUFCALLUUBC-UHFFFAOYSA-N Synonym: 3-4-methoxyphenyl-3-oxopropanenitrile,4-methoxybenzoylacetonitrile,4'-methoxybenzoylacetonitrile,4-methoxybenzoyl acetonitrile,pubchem10102,4-cyanoacetyl anisole,maybridge1_004582,acmc-1agd6,p-methoxybenzoylacetonitrile,toslab 6389 PubChem CID: 233398 IUPAC Name: 3-(4-methoxyphenyl)-3-oxopropanenitrile SMILES: COC1=CC=C(C=C1)C(=O)CC#N
| PubChem CID | 233398 |
|---|---|
| CAS | 3672-47-7 |
| Molecular Weight (g/mol) | 175.187 |
| MDL Number | MFCD00067889 |
| SMILES | COC1=CC=C(C=C1)C(=O)CC#N |
| Synonym | 3-4-methoxyphenyl-3-oxopropanenitrile,4-methoxybenzoylacetonitrile,4'-methoxybenzoylacetonitrile,4-methoxybenzoyl acetonitrile,pubchem10102,4-cyanoacetyl anisole,maybridge1_004582,acmc-1agd6,p-methoxybenzoylacetonitrile,toslab 6389 |
| IUPAC Name | 3-(4-methoxyphenyl)-3-oxopropanenitrile |
| InChI Key | IKEPUFCALLUUBC-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
3,4-Dimethyl-1-pentyn-3-ol, 94%
CAS: 1482-15-1 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00039845 InChI Key: DZNLEQBXXLGELU-UHFFFAOYNA-N PubChem CID: 95483 IUPAC Name: 3,4-dimethylpent-1-yn-3-ol SMILES: CC(C)C(C)(O)C#C
| PubChem CID | 95483 |
|---|---|
| CAS | 1482-15-1 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD00039845 |
| SMILES | CC(C)C(C)(O)C#C |
| IUPAC Name | 3,4-dimethylpent-1-yn-3-ol |
| InChI Key | DZNLEQBXXLGELU-UHFFFAOYNA-N |
| Molecular Formula | C7H12O |
3',4'-Difluoroacetophenone, 98%
CAS: 369-33-5 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.132 MDL Number: MFCD00009891 InChI Key: VWJSSJFLXRMYNV-UHFFFAOYSA-N Synonym: 3',4'-difluoroacetophenone,1-3,4-difluorophenyl ethanone,3,4-difluoroacetophenone,1-3,4-difluorophenyl ethan-1-one,ethanone, 1-3,4-difluorophenyl,1-3,4-difluoro-phenyl-ethanone,3,4,-difluoroacetophenone,1-acetyl-3,4-difluorobenzene,pubchem3089,acmc-209ipo PubChem CID: 123052 IUPAC Name: 1-(3,4-difluorophenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)F)F
| PubChem CID | 123052 |
|---|---|
| CAS | 369-33-5 |
| Molecular Weight (g/mol) | 156.132 |
| MDL Number | MFCD00009891 |
| SMILES | CC(=O)C1=CC(=C(C=C1)F)F |
| Synonym | 3',4'-difluoroacetophenone,1-3,4-difluorophenyl ethanone,3,4-difluoroacetophenone,1-3,4-difluorophenyl ethan-1-one,ethanone, 1-3,4-difluorophenyl,1-3,4-difluoro-phenyl-ethanone,3,4,-difluoroacetophenone,1-acetyl-3,4-difluorobenzene,pubchem3089,acmc-209ipo |
| IUPAC Name | 1-(3,4-difluorophenyl)ethanone |
| InChI Key | VWJSSJFLXRMYNV-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
Monothioglycerol, 95%, Spectrum™ Chemical
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CAS: 96-27-5 Molecular Formula: C3H8O2S Molecular Weight (g/mol): 108.16 MDL Number: MFCD00004879 InChI Key: PJUIMOJAAPLTRJ-UHFFFAOYNA-N IUPAC Name: 3-sulfanylpropane-1,2-diol SMILES: OCC(O)CS
| CAS | 96-27-5 |
|---|---|
| Molecular Weight (g/mol) | 108.16 |
| MDL Number | MFCD00004879 |
| SMILES | OCC(O)CS |
| IUPAC Name | 3-sulfanylpropane-1,2-diol |
| InChI Key | PJUIMOJAAPLTRJ-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2S |
Riboflavin, USP, 98-102%, Spectrum™ Chemical
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CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
| CAS | 83-88-5 |
|---|---|
| Molecular Weight (g/mol) | 376.37 |
| MDL Number | MFCD00005022 |
| SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione |
| InChI Key | AUNGANRZJHBGPY-QTZZOOGMNA-N |
| Molecular Formula | C17H20N4O6 |
1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one, Thermo Scientific™
CAS: 140675-42-9 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00042476 InChI Key: MCDJUVXLLXTCFP-UHFFFAOYSA-N Synonym: 1-3,5-difluoro-2-hydroxyphenyl ethanone,1-3,5-difluoro-2-hydroxyphenyl ethan-1-one,3',5'-difluoro-2'-hydroxyacetophenone,3,5-difluoro-2-hydroxyacetophenone,2-acetyl-4,6-difluorophenol,ethanone,1-3,5-difluoro-2-hydroxyphenyl,1-acetyl-3,5-difluoro-2-hydroxybenzene,acmc-1byqa,1-3,5-difluoro-2-hydroxyphenyl-ethanone,1-3,5-difluoro-2-hydroxy-phenyl-ethanone PubChem CID: 2736976 IUPAC Name: 1-(3,5-difluoro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1O)F)F
| PubChem CID | 2736976 |
|---|---|
| CAS | 140675-42-9 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00042476 |
| SMILES | CC(=O)C1=CC(=CC(=C1O)F)F |
| Synonym | 1-3,5-difluoro-2-hydroxyphenyl ethanone,1-3,5-difluoro-2-hydroxyphenyl ethan-1-one,3',5'-difluoro-2'-hydroxyacetophenone,3,5-difluoro-2-hydroxyacetophenone,2-acetyl-4,6-difluorophenol,ethanone,1-3,5-difluoro-2-hydroxyphenyl,1-acetyl-3,5-difluoro-2-hydroxybenzene,acmc-1byqa,1-3,5-difluoro-2-hydroxyphenyl-ethanone,1-3,5-difluoro-2-hydroxy-phenyl-ethanone |
| IUPAC Name | 1-(3,5-difluoro-2-hydroxyphenyl)ethanone |
| InChI Key | MCDJUVXLLXTCFP-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
2,3-Naphthalenedicarboxaldehyde, 95%
CAS: 7149-49-7 Molecular Formula: C12H8O2 Molecular Weight (g/mol): 184.19 InChI Key: ZIPLKLQPLOWLTM-UHFFFAOYSA-N Synonym: 2,3-naphthalenedicarboxaldehyde,2,3-naphthalenedialdehyde,naphthalene-2,3-dicarboxaldehyde,2,3-naphthalenedicarbaldehyde,naphthalene-2,3-dialdehyde,2,3-nda,2,3-diformylnaphthalene,2,3-naphthalene dicarboxaldehyde,nnaphthalene-2,3-dicarboxaldehyde,naphthalene-2,3-dicarboxaldehyde nda PubChem CID: 96400 IUPAC Name: naphthalene-2,3-dicarbaldehyde SMILES: C1=CC=C2C=C(C(=CC2=C1)C=O)C=O
| PubChem CID | 96400 |
|---|---|
| CAS | 7149-49-7 |
| Molecular Weight (g/mol) | 184.19 |
| SMILES | C1=CC=C2C=C(C(=CC2=C1)C=O)C=O |
| Synonym | 2,3-naphthalenedicarboxaldehyde,2,3-naphthalenedialdehyde,naphthalene-2,3-dicarboxaldehyde,2,3-naphthalenedicarbaldehyde,naphthalene-2,3-dialdehyde,2,3-nda,2,3-diformylnaphthalene,2,3-naphthalene dicarboxaldehyde,nnaphthalene-2,3-dicarboxaldehyde,naphthalene-2,3-dicarboxaldehyde nda |
| IUPAC Name | naphthalene-2,3-dicarbaldehyde |
| InChI Key | ZIPLKLQPLOWLTM-UHFFFAOYSA-N |
| Molecular Formula | C12H8O2 |
1-Methoxy-2-propanol Acetate, 97%, Spectrum™ Chemical
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CAS: 108-65-6 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 InChI Key: LLHKCFNBLRBOGN-UHFFFAOYNA-N IUPAC Name: 1-methoxypropan-2-yl acetate SMILES: COCC(C)OC(C)=O
| CAS | 108-65-6 |
|---|---|
| Molecular Weight (g/mol) | 132.16 |
| SMILES | COCC(C)OC(C)=O |
| IUPAC Name | 1-methoxypropan-2-yl acetate |
| InChI Key | LLHKCFNBLRBOGN-UHFFFAOYNA-N |
| Molecular Formula | C6H12O3 |
Ethyl 4,4,4-trifluoro-2-methylacetoacetate, 96%
CAS: 344-00-3 Molecular Formula: C7H9F3O3 Molecular Weight (g/mol): 198.141 MDL Number: MFCD00190635 InChI Key: YLRGPBKEZVHOAW-UHFFFAOYSA-N Synonym: ethyl 2-methyl-4,4,4-trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-2-methyl-3-oxo-, ethyl ester,zlchem 125,acmc-20al0w,ethyl 2-methyltrifluoroacetoacetate,ethyl 2-methyl-4,4,4-trifluoro acetoacetate,ethyl alpha-methyl-4,4,4-trifluoroacetoacetate,ethyl4,4,4-trifluoro-2-methyl-3-oxobutanoate,ethyl 3-keto-2-methyl-4,4,4-trifluorobutanoate,ethyl 4,4,4-trifluoro-2-methyl-3-oxo-butanoate PubChem CID: 2737204 IUPAC Name: ethyl 4,4,4-trifluoro-2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C(F)(F)F
| PubChem CID | 2737204 |
|---|---|
| CAS | 344-00-3 |
| Molecular Weight (g/mol) | 198.141 |
| MDL Number | MFCD00190635 |
| SMILES | CCOC(=O)C(C)C(=O)C(F)(F)F |
| Synonym | ethyl 2-methyl-4,4,4-trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-2-methyl-3-oxo-, ethyl ester,zlchem 125,acmc-20al0w,ethyl 2-methyltrifluoroacetoacetate,ethyl 2-methyl-4,4,4-trifluoro acetoacetate,ethyl alpha-methyl-4,4,4-trifluoroacetoacetate,ethyl4,4,4-trifluoro-2-methyl-3-oxobutanoate,ethyl 3-keto-2-methyl-4,4,4-trifluorobutanoate,ethyl 4,4,4-trifluoro-2-methyl-3-oxo-butanoate |
| IUPAC Name | ethyl 4,4,4-trifluoro-2-methyl-3-oxobutanoate |
| InChI Key | YLRGPBKEZVHOAW-UHFFFAOYSA-N |
| Molecular Formula | C7H9F3O3 |
Decyl aldehyde, 95%
CAS: 112-31-2 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00007031 InChI Key: KSMVZQYAVGTKIV-UHFFFAOYSA-N Synonym: decyl aldehyde,capraldehyde,caprinaldehyde,decanaldehyde,n-decyl aldehyde,capric aldehyde,1-decanal,n-decanal,n-decaldehyde,1-decyl aldehyde PubChem CID: 8175 ChEBI: CHEBI:31457 IUPAC Name: decanal SMILES: CCCCCCCCCC=O
| PubChem CID | 8175 |
|---|---|
| CAS | 112-31-2 |
| Molecular Weight (g/mol) | 156.27 |
| ChEBI | CHEBI:31457 |
| MDL Number | MFCD00007031 |
| SMILES | CCCCCCCCCC=O |
| Synonym | decyl aldehyde,capraldehyde,caprinaldehyde,decanaldehyde,n-decyl aldehyde,capric aldehyde,1-decanal,n-decanal,n-decaldehyde,1-decyl aldehyde |
| IUPAC Name | decanal |
| InChI Key | KSMVZQYAVGTKIV-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |