Organooxygen compounds
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Allyl alcohol, 98+%
CAS: 107-18-6 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00002920 InChI Key: XXROGKLTLUQVRX-UHFFFAOYSA-N Synonym: allyl alcohol,2-propen-1-ol,vinylcarbinol,2-propenyl alcohol,3-hydroxypropene,2-propenol,allylic alcohol,1-propen-3-ol,vinyl carbinol,weed drench PubChem CID: 7858 ChEBI: CHEBI:16605 IUPAC Name: prop-2-en-1-ol SMILES: OCC=C
| PubChem CID | 7858 |
|---|---|
| CAS | 107-18-6 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:16605 |
| MDL Number | MFCD00002920 |
| SMILES | OCC=C |
| Synonym | allyl alcohol,2-propen-1-ol,vinylcarbinol,2-propenyl alcohol,3-hydroxypropene,2-propenol,allylic alcohol,1-propen-3-ol,vinyl carbinol,weed drench |
| IUPAC Name | prop-2-en-1-ol |
| InChI Key | XXROGKLTLUQVRX-UHFFFAOYSA-N |
| Molecular Formula | C3H6O |
Ethyl 2-nitrobenzoylacetate, 97%
CAS: 52119-39-8 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.21 MDL Number: MFCD03424821 InChI Key: OWZNCVIBJQPNEF-UHFFFAOYSA-N Synonym: ethyl 3-2-nitrophenyl-3-oxopropanoate,ethyl 2-nitrobenzoylacetate,acmc-1awhb,ethyl 3-2-nitrophenyl-3-oxo-propanoate,ethyl o-nitrobenzoylacetate,ethyl 2-o-nitrobenzoyl acetate,ethyl 2-2-nitrobenzoyl acetate,ethyl 2-o-nitrobenzoyl-acetate,ethyl 2-nitrobenzoyl acetate PubChem CID: 10561837 IUPAC Name: ethyl 3-(2-nitrophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1[N+](=O)[O-]
| PubChem CID | 10561837 |
|---|---|
| CAS | 52119-39-8 |
| Molecular Weight (g/mol) | 237.21 |
| MDL Number | MFCD03424821 |
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1[N+](=O)[O-] |
| Synonym | ethyl 3-2-nitrophenyl-3-oxopropanoate,ethyl 2-nitrobenzoylacetate,acmc-1awhb,ethyl 3-2-nitrophenyl-3-oxo-propanoate,ethyl o-nitrobenzoylacetate,ethyl 2-o-nitrobenzoyl acetate,ethyl 2-2-nitrobenzoyl acetate,ethyl 2-o-nitrobenzoyl-acetate,ethyl 2-nitrobenzoyl acetate |
| IUPAC Name | ethyl 3-(2-nitrophenyl)-3-oxopropanoate |
| InChI Key | OWZNCVIBJQPNEF-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO5 |
5-Bromosalicylaldehyde, 98%
CAS: 1761-61-1 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD00003330 InChI Key: MKKSTJKBKNCMRV-UHFFFAOYSA-N Synonym: 5-bromosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy,2-hydroxy-5-bromobenzaldehyde,salicylaldehyde, 5-bromo,5-bromo-salicyclaldehyde,unii-0z65a0a8ce,5-bromo-2-hydroxy-benzaldehyde,5-bromo-salicyclic aldehyde,5-bromo-2-hydroxy benzaldehyde,pubchem3779 PubChem CID: 72863 IUPAC Name: 5-bromo-2-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1Br)C=O)O
| PubChem CID | 72863 |
|---|---|
| CAS | 1761-61-1 |
| Molecular Weight (g/mol) | 201.019 |
| MDL Number | MFCD00003330 |
| SMILES | C1=CC(=C(C=C1Br)C=O)O |
| Synonym | 5-bromosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy,2-hydroxy-5-bromobenzaldehyde,salicylaldehyde, 5-bromo,5-bromo-salicyclaldehyde,unii-0z65a0a8ce,5-bromo-2-hydroxy-benzaldehyde,5-bromo-salicyclic aldehyde,5-bromo-2-hydroxy benzaldehyde,pubchem3779 |
| IUPAC Name | 5-bromo-2-hydroxybenzaldehyde |
| InChI Key | MKKSTJKBKNCMRV-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
5-Methoxy-2-methylindole, 99+%
CAS: 1076-74-0 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.20 MDL Number: MFCD00005620 InChI Key: VSWGLJOQFUMFOQ-UHFFFAOYSA-N Synonym: 5-methoxy-2-methylindole,2-methyl-5-methoxyindole,1h-indole, 5-methoxy-2-methyl,indole, 5-methoxy-2-methyl,pubchem7236,acmc-1buiu,maybridge1_002343,5-methoxy-2 methylindole,2-methyl-5-methoxylindole,2-methyl-5-methoxy indole PubChem CID: 70642 IUPAC Name: 5-methoxy-2-methyl-1H-indole SMILES: COC1=CC=C2NC(C)=CC2=C1
| PubChem CID | 70642 |
|---|---|
| CAS | 1076-74-0 |
| Molecular Weight (g/mol) | 161.20 |
| MDL Number | MFCD00005620 |
| SMILES | COC1=CC=C2NC(C)=CC2=C1 |
| Synonym | 5-methoxy-2-methylindole,2-methyl-5-methoxyindole,1h-indole, 5-methoxy-2-methyl,indole, 5-methoxy-2-methyl,pubchem7236,acmc-1buiu,maybridge1_002343,5-methoxy-2 methylindole,2-methyl-5-methoxylindole,2-methyl-5-methoxy indole |
| IUPAC Name | 5-methoxy-2-methyl-1H-indole |
| InChI Key | VSWGLJOQFUMFOQ-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO |
Pyruvic aldehyde, 35-45% w/w aq. soln
CAS: 78-98-8 Molecular Formula: C3H4O2 Molecular Weight (g/mol): 72.06 MDL Number: MFCD00006960 InChI Key: AIJULSRZWUXGPQ-UHFFFAOYSA-N Synonym: methylglyoxal,pyruvaldehyde,pyruvic aldehyde,acetylformaldehyde,acetylformyl,propanal, 2-oxo,2-ketopropionaldehyde,propanedione,propanolone,methyl glyoxal PubChem CID: 880 ChEBI: CHEBI:17158 IUPAC Name: 2-oxopropanal SMILES: CC(=O)C=O
| PubChem CID | 880 |
|---|---|
| CAS | 78-98-8 |
| Molecular Weight (g/mol) | 72.06 |
| ChEBI | CHEBI:17158 |
| MDL Number | MFCD00006960 |
| SMILES | CC(=O)C=O |
| Synonym | methylglyoxal,pyruvaldehyde,pyruvic aldehyde,acetylformaldehyde,acetylformyl,propanal, 2-oxo,2-ketopropionaldehyde,propanedione,propanolone,methyl glyoxal |
| IUPAC Name | 2-oxopropanal |
| InChI Key | AIJULSRZWUXGPQ-UHFFFAOYSA-N |
| Molecular Formula | C3H4O2 |
Acrolein diethyl acetal, 96%
CAS: 3054-95-3 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009239 InChI Key: MCIPQLOKVXSHTD-UHFFFAOYSA-N Synonym: acrolein diethyl acetal,acrolein diethylacetal,acrolein acetal,3,3-diethoxy-1-propene,1-propene, 3,3-diethoxy,propenal diethyl acetal,3,3-diethoxypropene,1,1-diethoxy-2-propene,acrolein, diethyl acetal,acrylaldehyde diethyl acetal PubChem CID: 62477 IUPAC Name: 3,3-diethoxyprop-1-ene SMILES: CCOC(C=C)OCC
| PubChem CID | 62477 |
|---|---|
| CAS | 3054-95-3 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00009239 |
| SMILES | CCOC(C=C)OCC |
| Synonym | acrolein diethyl acetal,acrolein diethylacetal,acrolein acetal,3,3-diethoxy-1-propene,1-propene, 3,3-diethoxy,propenal diethyl acetal,3,3-diethoxypropene,1,1-diethoxy-2-propene,acrolein, diethyl acetal,acrylaldehyde diethyl acetal |
| IUPAC Name | 3,3-diethoxyprop-1-ene |
| InChI Key | MCIPQLOKVXSHTD-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
2-Acetylpyrrole, 99%
CAS: 1072-83-9 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00005220 InChI Key: IGJQUJNPMOYEJY-UHFFFAOYSA-N Synonym: 2-acetylpyrrole,1-1h-pyrrol-2-yl ethanone,1-1h-pyrrol-2-yl ethan-1-one,2-acetyl pyrrole,2-pyrrolylethanone,2-acetyl-1h-pyrrole,methyl pyrrol-2-yl ketone,ethanone, 1-1h-pyrrol-2-yl,2-pyrrolyl methyl ketone,ketone, methyl pyrrol-2-yl PubChem CID: 14079 ChEBI: CHEBI:59981 IUPAC Name: 1-(1H-pyrrol-2-yl)ethanone SMILES: CC(=O)C1=CC=CN1
| PubChem CID | 14079 |
|---|---|
| CAS | 1072-83-9 |
| Molecular Weight (g/mol) | 109.13 |
| ChEBI | CHEBI:59981 |
| MDL Number | MFCD00005220 |
| SMILES | CC(=O)C1=CC=CN1 |
| Synonym | 2-acetylpyrrole,1-1h-pyrrol-2-yl ethanone,1-1h-pyrrol-2-yl ethan-1-one,2-acetyl pyrrole,2-pyrrolylethanone,2-acetyl-1h-pyrrole,methyl pyrrol-2-yl ketone,ethanone, 1-1h-pyrrol-2-yl,2-pyrrolyl methyl ketone,ketone, methyl pyrrol-2-yl |
| IUPAC Name | 1-(1H-pyrrol-2-yl)ethanone |
| InChI Key | IGJQUJNPMOYEJY-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
18-Crown-6, 99%
CAS: 17455-13-9 Molecular Formula: C12H24O6 Molecular Weight (g/mol): 264.32 MDL Number: MFCD00005113 InChI Key: XEZNGIUYQVAUSS-UHFFFAOYSA-N Synonym: 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane PubChem CID: 28557 ChEBI: CHEBI:32397 IUPAC Name: 1,4,7,10,13,16-hexaoxacyclooctadecane SMILES: C1COCCOCCOCCOCCOCCO1
| PubChem CID | 28557 |
|---|---|
| CAS | 17455-13-9 |
| Molecular Weight (g/mol) | 264.32 |
| ChEBI | CHEBI:32397 |
| MDL Number | MFCD00005113 |
| SMILES | C1COCCOCCOCCOCCOCCO1 |
| Synonym | 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane |
| IUPAC Name | 1,4,7,10,13,16-hexaoxacyclooctadecane |
| InChI Key | XEZNGIUYQVAUSS-UHFFFAOYSA-N |
| Molecular Formula | C12H24O6 |
Hexanophenone, 98%
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 |
Diethylene glycol dibutyl ether, 99+%, pure
CAS: 112-73-2 Molecular Formula: C12H26O3 Molecular Weight (g/mol): 218.34 InChI Key: KZVBBTZJMSWGTK-UHFFFAOYSA-N Synonym: diethylene glycol dibutyl ether,bis 2-butoxyethyl ether,dibutyl carbitol,butyl diglyme,1-2-2-butoxyethoxy ethoxy butane,5,8,11-trioxapentadecane,ether, bis butoxyethyl,2,2'-dibutoxyethyl ether,ether, bis 2-butoxyethyl PubChem CID: 8210 IUPAC Name: 1-[2-(2-butoxyethoxy)ethoxy]butane SMILES: CCCCOCCOCCOCCCC
| PubChem CID | 8210 |
|---|---|
| CAS | 112-73-2 |
| Molecular Weight (g/mol) | 218.34 |
| SMILES | CCCCOCCOCCOCCCC |
| Synonym | diethylene glycol dibutyl ether,bis 2-butoxyethyl ether,dibutyl carbitol,butyl diglyme,1-2-2-butoxyethoxy ethoxy butane,5,8,11-trioxapentadecane,ether, bis butoxyethyl,2,2'-dibutoxyethyl ether,ether, bis 2-butoxyethyl |
| IUPAC Name | 1-[2-(2-butoxyethoxy)ethoxy]butane |
| InChI Key | KZVBBTZJMSWGTK-UHFFFAOYSA-N |
| Molecular Formula | C12H26O3 |
tert-Butyl acetoacetate, 97%
CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonym: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C
| PubChem CID | 15538 |
|---|---|
| CAS | 1694-31-1 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00008811 |
| SMILES | CC(=O)CC(=O)OC(C)(C)C |
| Synonym | tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate |
| IUPAC Name | tert-butyl 3-oxobutanoate |
| InChI Key | JKUYRAMKJLMYLO-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Pyrogallol 99.0+%, TCI America™
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CAS: 87-66-1 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00002192 InChI Key: WQGWDDDVZFFDIG-UHFFFAOYSA-N Synonym: pyrogallol,1,2,3-trihydroxybenzene,pyrogallic acid,1,2,3-benzenetriol,fouramine brown ap,fourrine pg,fourrine 85,pyro,c.i. oxidation base 32,piral PubChem CID: 1057 ChEBI: CHEBI:16164 IUPAC Name: benzene-1,2,3-triol SMILES: OC1=CC=CC(O)=C1O
| PubChem CID | 1057 |
|---|---|
| CAS | 87-66-1 |
| Molecular Weight (g/mol) | 126.11 |
| ChEBI | CHEBI:16164 |
| MDL Number | MFCD00002192 |
| SMILES | OC1=CC=CC(O)=C1O |
| Synonym | pyrogallol,1,2,3-trihydroxybenzene,pyrogallic acid,1,2,3-benzenetriol,fouramine brown ap,fourrine pg,fourrine 85,pyro,c.i. oxidation base 32,piral |
| IUPAC Name | benzene-1,2,3-triol |
| InChI Key | WQGWDDDVZFFDIG-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
3-Fluoro-4-methoxypyridine, 97%
CAS: 1060805-03-9 Molecular Formula: C6H6FNO Molecular Weight (g/mol): 127.118 MDL Number: MFCD13185605 InChI Key: XYTUUTJNWFECNS-UHFFFAOYSA-N Synonym: 3-fluoro-4-methoxy-pyridine,pyridine, 3-fluoro-4-methoxy,abbypharma ap-14-5665 PubChem CID: 57336639 IUPAC Name: 3-fluoro-4-methoxypyridine SMILES: COC1=C(C=NC=C1)F
| PubChem CID | 57336639 |
|---|---|
| CAS | 1060805-03-9 |
| Molecular Weight (g/mol) | 127.118 |
| MDL Number | MFCD13185605 |
| SMILES | COC1=C(C=NC=C1)F |
| Synonym | 3-fluoro-4-methoxy-pyridine,pyridine, 3-fluoro-4-methoxy,abbypharma ap-14-5665 |
| IUPAC Name | 3-fluoro-4-methoxypyridine |
| InChI Key | XYTUUTJNWFECNS-UHFFFAOYSA-N |
| Molecular Formula | C6H6FNO |
2,4'-Dibromoacetophenone, 98%
CAS: 99-73-0 Molecular Formula: C8H6Br2O Molecular Weight (g/mol): 277.94 MDL Number: MFCD00000200 InChI Key: FKJSFKCZZIXQIP-UHFFFAOYSA-N Synonym: 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene PubChem CID: 7454 IUPAC Name: 2-bromo-1-(4-bromophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)Br
| PubChem CID | 7454 |
|---|---|
| CAS | 99-73-0 |
| Molecular Weight (g/mol) | 277.94 |
| MDL Number | MFCD00000200 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)Br |
| Synonym | 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene |
| IUPAC Name | 2-bromo-1-(4-bromophenyl)ethanone |
| InChI Key | FKJSFKCZZIXQIP-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O |
4'-Hydroxy-3',5'-dimethoxyacetophenone 98.0+%, TCI America™
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CAS: 2478-38-8 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00008748 InChI Key: OJOBTAOGJIWAGB-UHFFFAOYSA-N Synonym: acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy PubChem CID: 17198 ChEBI: CHEBI:2404 IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one SMILES: COC1=CC(=CC(OC)=C1O)C(C)=O
| PubChem CID | 17198 |
|---|---|
| CAS | 2478-38-8 |
| Molecular Weight (g/mol) | 196.20 |
| ChEBI | CHEBI:2404 |
| MDL Number | MFCD00008748 |
| SMILES | COC1=CC(=CC(OC)=C1O)C(C)=O |
| Synonym | acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy |
| IUPAC Name | 1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one |
| InChI Key | OJOBTAOGJIWAGB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |