
Organooxygen compounds
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4-Isopropoxybenzaldehyde, 97%
CAS: 18962-05-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00052357 InChI Key: WDANSDASCKBVKH-UHFFFAOYSA-N Synonym: 4-isopropoxybenzaldehyde,4-propan-2-yloxy benzaldehyde,4-iso-propoxybenzaldehyde,benzaldehyde, 4-1-methylethoxy,4-propan-2-yl-oxy benzaldehyde,4-isopropoxy-1-formylbenzene,4-methylethoxy benzaldehyde,pubchem9651,p-isopropoxybenzaldehyde,4-isopropoxy-benzaldehyde PubChem CID: 250077 IUPAC Name: 4-propan-2-yloxybenzaldehyde SMILES: CC(C)OC1=CC=C(C=C1)C=O
PubChem CID | 250077 |
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CAS | 18962-05-5 |
Molecular Weight (g/mol) | 164.204 |
MDL Number | MFCD00052357 |
SMILES | CC(C)OC1=CC=C(C=C1)C=O |
Synonym | 4-isopropoxybenzaldehyde,4-propan-2-yloxy benzaldehyde,4-iso-propoxybenzaldehyde,benzaldehyde, 4-1-methylethoxy,4-propan-2-yl-oxy benzaldehyde,4-isopropoxy-1-formylbenzene,4-methylethoxy benzaldehyde,pubchem9651,p-isopropoxybenzaldehyde,4-isopropoxy-benzaldehyde |
IUPAC Name | 4-propan-2-yloxybenzaldehyde |
InChI Key | WDANSDASCKBVKH-UHFFFAOYSA-N |
Molecular Formula | C10H12O2 |
2-Methyl-1,3-dioxolane, 98%
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 |
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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 |
3-Hydroxy-4-methoxybenzaldehyde, 98%
CAS: 621-59-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00003369 InChI Key: JVTZFYYHCGSXJV-UHFFFAOYSA-N Synonym: isovanillin,isovanilline,3-hydroxy-p-anisaldehyde,5-formylguaiacol,benzaldehyde, 3-hydroxy-4-methoxy,iso-vanillin,3-hydroxyanisaldehyde,isovanilin,isovanicaline,3-hydroxy-4-methoxy-benzaldehyde PubChem CID: 12127 IUPAC Name: 3-hydroxy-4-methoxybenzaldehyde SMILES: COC1=C(C=C(C=C1)C=O)O
PubChem CID | 12127 |
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CAS | 621-59-0 |
Molecular Weight (g/mol) | 152.149 |
MDL Number | MFCD00003369 |
SMILES | COC1=C(C=C(C=C1)C=O)O |
Synonym | isovanillin,isovanilline,3-hydroxy-p-anisaldehyde,5-formylguaiacol,benzaldehyde, 3-hydroxy-4-methoxy,iso-vanillin,3-hydroxyanisaldehyde,isovanilin,isovanicaline,3-hydroxy-4-methoxy-benzaldehyde |
IUPAC Name | 3-hydroxy-4-methoxybenzaldehyde |
InChI Key | JVTZFYYHCGSXJV-UHFFFAOYSA-N |
Molecular Formula | C8H8O3 |
2-Methylcyclohexanol, cis + trans, 97%
CAS: 583-59-5 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00001443 InChI Key: NDVWOBYBJYUSMF-UHFFFAOYSA-N Synonym: 2-methylcyclohexanol,cyclohexanol, 2-methyl,o-methylcyclohexanol,1-methyl-2-cyclohexanol,2-methyl-1-cyclohexanol,2-methylcyclohexyl alcohol,cyclohexanol, o-methyl,cis-2-methylcyclohexanol,2-methyl-cyclohexanol,2-methylcyclohexanol, mixed isomers PubChem CID: 11418 IUPAC Name: 2-methylcyclohexan-1-ol SMILES: CC1CCCCC1O
PubChem CID | 11418 |
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CAS | 583-59-5 |
Molecular Weight (g/mol) | 114.188 |
MDL Number | MFCD00001443 |
SMILES | CC1CCCCC1O |
Synonym | 2-methylcyclohexanol,cyclohexanol, 2-methyl,o-methylcyclohexanol,1-methyl-2-cyclohexanol,2-methyl-1-cyclohexanol,2-methylcyclohexyl alcohol,cyclohexanol, o-methyl,cis-2-methylcyclohexanol,2-methyl-cyclohexanol,2-methylcyclohexanol, mixed isomers |
IUPAC Name | 2-methylcyclohexan-1-ol |
InChI Key | NDVWOBYBJYUSMF-UHFFFAOYSA-N |
Molecular Formula | C7H14O |
3-Pyridinemethanol, 98%
CAS: 100-55-0 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006407 InChI Key: MVQVNTPHUGQQHK-UHFFFAOYSA-N Synonym: 3-pyridinemethanol,nicotinyl alcohol,3-hydroxymethyl pyridine,3-pyridylmethanol,nicotinic alcohol,3-pyridylcarbinol,roniacol,pyridylcarbinol,3-pyridinylmethanol,pyridine-3-carbinol PubChem CID: 7510 IUPAC Name: pyridin-3-ylmethanol SMILES: OCC1=CC=CN=C1
PubChem CID | 7510 |
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CAS | 100-55-0 |
Molecular Weight (g/mol) | 109.13 |
MDL Number | MFCD00006407 |
SMILES | OCC1=CC=CN=C1 |
Synonym | 3-pyridinemethanol,nicotinyl alcohol,3-hydroxymethyl pyridine,3-pyridylmethanol,nicotinic alcohol,3-pyridylcarbinol,roniacol,pyridylcarbinol,3-pyridinylmethanol,pyridine-3-carbinol |
IUPAC Name | pyridin-3-ylmethanol |
InChI Key | MVQVNTPHUGQQHK-UHFFFAOYSA-N |
Molecular Formula | C6H7NO |
4'-Hydroxy-3'-methoxyacetophenone, 98%
CAS: 498-02-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00008747 InChI Key: DFYRUELUNQRZTB-UHFFFAOYSA-N Synonym: acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon PubChem CID: 2214 ChEBI: CHEBI:2781 IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone SMILES: COC1=CC(=CC=C1O)C(C)=O
PubChem CID | 2214 |
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CAS | 498-02-2 |
Molecular Weight (g/mol) | 166.18 |
ChEBI | CHEBI:2781 |
MDL Number | MFCD00008747 |
SMILES | COC1=CC(=CC=C1O)C(C)=O |
Synonym | acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon |
IUPAC Name | 1-(4-hydroxy-3-methoxyphenyl)ethanone |
InChI Key | DFYRUELUNQRZTB-UHFFFAOYSA-N |
Molecular Formula | C9H10O3 |
Aminoacetaldehyde diethyl acetal, 98%
CAS: 645-36-3 Molecular Formula: C6H15NO2 Molecular Weight (g/mol): 133.19 MDL Number: MFCD00008136 InChI Key: HJKLEAOXCZIMPI-UHFFFAOYSA-N Synonym: 2,2-diethoxyethylamine,aminoacetaldehyde diethyl acetal,ethanamine, 2,2-diethoxy,2,2-diethoxyethan-1-amine,2-aminoacetaldehyde diethyl acetal,glycinaldehyde diethyl acetal,aminoacetal,diethoxyethylamine,acetaldehyde, amino-, diethyl acetal,aminoacetaldehydediethylacetal PubChem CID: 69524 IUPAC Name: 2,2-diethoxyethanamine SMILES: CCOC(CN)OCC
PubChem CID | 69524 |
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CAS | 645-36-3 |
Molecular Weight (g/mol) | 133.19 |
MDL Number | MFCD00008136 |
SMILES | CCOC(CN)OCC |
Synonym | 2,2-diethoxyethylamine,aminoacetaldehyde diethyl acetal,ethanamine, 2,2-diethoxy,2,2-diethoxyethan-1-amine,2-aminoacetaldehyde diethyl acetal,glycinaldehyde diethyl acetal,aminoacetal,diethoxyethylamine,acetaldehyde, amino-, diethyl acetal,aminoacetaldehydediethylacetal |
IUPAC Name | 2,2-diethoxyethanamine |
InChI Key | HJKLEAOXCZIMPI-UHFFFAOYSA-N |
Molecular Formula | C6H15NO2 |
Deoxybenzoin, 97%
CAS: 451-40-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00003081 InChI Key: OTKCEEWUXHVZQI-UHFFFAOYSA-N Synonym: 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin PubChem CID: 9948 IUPAC Name: 1,2-diphenylethanone SMILES: O=C(CC1=CC=CC=C1)C1=CC=CC=C1
PubChem CID | 9948 |
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CAS | 451-40-1 |
Molecular Weight (g/mol) | 196.25 |
MDL Number | MFCD00003081 |
SMILES | O=C(CC1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin |
IUPAC Name | 1,2-diphenylethanone |
InChI Key | OTKCEEWUXHVZQI-UHFFFAOYSA-N |
Molecular Formula | C14H12O |
Anisil, 98+%
CAS: 1226-42-2 Molecular Formula: C16H14O4 Molecular Weight (g/mol): 270.284 MDL Number: MFCD00008405 InChI Key: YNANGXWUZWWFKX-UHFFFAOYSA-N Synonym: 4,4'-dimethoxybenzil,anisil,p-anisil,1,2-bis 4-methoxyphenyl ethane-1,2-dione,bis 4-methoxyphenyl ethanedione,ethanedione, bis 4-methoxyphenyl,di-p-anisoyl,p,p'-dimethoxybenzil,1,2-ethanedione, 1,2-bis 4-methoxyphenyl,1,2-bis 4-methoxyphenyl-1,2-ethanedione PubChem CID: 71043 IUPAC Name: 1,2-bis(4-methoxyphenyl)ethane-1,2-dione SMILES: COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC
PubChem CID | 71043 |
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CAS | 1226-42-2 |
Molecular Weight (g/mol) | 270.284 |
MDL Number | MFCD00008405 |
SMILES | COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC |
Synonym | 4,4'-dimethoxybenzil,anisil,p-anisil,1,2-bis 4-methoxyphenyl ethane-1,2-dione,bis 4-methoxyphenyl ethanedione,ethanedione, bis 4-methoxyphenyl,di-p-anisoyl,p,p'-dimethoxybenzil,1,2-ethanedione, 1,2-bis 4-methoxyphenyl,1,2-bis 4-methoxyphenyl-1,2-ethanedione |
IUPAC Name | 1,2-bis(4-methoxyphenyl)ethane-1,2-dione |
InChI Key | YNANGXWUZWWFKX-UHFFFAOYSA-N |
Molecular Formula | C16H14O4 |
1,4-Dimethoxynaphthalene, 96%
CAS: 10075-62-4 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.226 MDL Number: MFCD00052378 InChI Key: FWWRTYBQQDXLDD-UHFFFAOYSA-N PubChem CID: 82337 IUPAC Name: 1,4-dimethoxynaphthalene SMILES: COC1=CC=C(C2=CC=CC=C21)OC
PubChem CID | 82337 |
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CAS | 10075-62-4 |
Molecular Weight (g/mol) | 188.226 |
MDL Number | MFCD00052378 |
SMILES | COC1=CC=C(C2=CC=CC=C21)OC |
IUPAC Name | 1,4-dimethoxynaphthalene |
InChI Key | FWWRTYBQQDXLDD-UHFFFAOYSA-N |
Molecular Formula | C12H12O2 |
2',3',4'-Trihydroxyacetophenone, 98%
CAS: 528-21-2 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00002193 InChI Key: XIROXSOOOAZHLL-UHFFFAOYSA-N Synonym: gallacetophenone,1-2,3,4-trihydroxyphenyl ethanone,2',3',4'-trihydroxyacetophenone,galloacetophenone,alizarin yellow c,alizarine yellow c,2,3,4-trihydroxyacetophenone,ethanone, 1-2,3,4-trihydroxyphenyl,4-acetylpyrogallol,acetophenone, 2',3',4'-trihydroxy PubChem CID: 10706 IUPAC Name: 1-(2,3,4-trihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C(=C(C=C1)O)O)O
PubChem CID | 10706 |
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CAS | 528-21-2 |
Molecular Weight (g/mol) | 168.148 |
MDL Number | MFCD00002193 |
SMILES | CC(=O)C1=C(C(=C(C=C1)O)O)O |
Synonym | gallacetophenone,1-2,3,4-trihydroxyphenyl ethanone,2',3',4'-trihydroxyacetophenone,galloacetophenone,alizarin yellow c,alizarine yellow c,2,3,4-trihydroxyacetophenone,ethanone, 1-2,3,4-trihydroxyphenyl,4-acetylpyrogallol,acetophenone, 2',3',4'-trihydroxy |
IUPAC Name | 1-(2,3,4-trihydroxyphenyl)ethanone |
InChI Key | XIROXSOOOAZHLL-UHFFFAOYSA-N |
Molecular Formula | C8H8O4 |
Neopentyl alcohol, 99%
CAS: 75-84-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004682 InChI Key: KPSSIOMAKSHJJG-UHFFFAOYSA-N Synonym: neopentyl alcohol,2,2-dimethyl-1-propanol,2,2-dimethylpropanol,tert-butylcarbinol,1-propanol, 2,2-dimethyl,tert-butyl carbinol,neopentanol,neopentylalcohol,neoamyl alcohol,2,2-dimethylpropyl alcohol PubChem CID: 6404 IUPAC Name: 2,2-dimethylpropan-1-ol SMILES: CC(C)(C)CO
PubChem CID | 6404 |
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CAS | 75-84-3 |
Molecular Weight (g/mol) | 88.15 |
MDL Number | MFCD00004682 |
SMILES | CC(C)(C)CO |
Synonym | neopentyl alcohol,2,2-dimethyl-1-propanol,2,2-dimethylpropanol,tert-butylcarbinol,1-propanol, 2,2-dimethyl,tert-butyl carbinol,neopentanol,neopentylalcohol,neoamyl alcohol,2,2-dimethylpropyl alcohol |
IUPAC Name | 2,2-dimethylpropan-1-ol |
InChI Key | KPSSIOMAKSHJJG-UHFFFAOYSA-N |
Molecular Formula | C5H12O |
Alizarin, 94%
CAS: 72-48-0 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001201 InChI Key: RGCKGOZRHPZPFP-UHFFFAOYSA-N Synonym: alizarin,alizarin red,mordant red 11,1,2-dihydroxyanthraquinone,alizarin b,turkey red,1,2-anthraquinonediol,alizarine,alizarina,alizarine red PubChem CID: 6293 ChEBI: CHEBI:16866 IUPAC Name: 1,2-dihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
PubChem CID | 6293 |
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CAS | 72-48-0 |
Molecular Weight (g/mol) | 240.214 |
ChEBI | CHEBI:16866 |
MDL Number | MFCD00001201 |
SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O |
Synonym | alizarin,alizarin red,mordant red 11,1,2-dihydroxyanthraquinone,alizarin b,turkey red,1,2-anthraquinonediol,alizarine,alizarina,alizarine red |
IUPAC Name | 1,2-dihydroxyanthracene-9,10-dione |
InChI Key | RGCKGOZRHPZPFP-UHFFFAOYSA-N |
Molecular Formula | C14H8O4 |
2-Furoylacetonitrile, 97%
CAS: 31909-58-7 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.12 MDL Number: MFCD00052210 InChI Key: RZNSHBXVTAHWPP-UHFFFAOYSA-N Synonym: 2-furoylacetonitrile,3-furan-2-yl-3-oxopropanenitrile,3-2-furyl-3-oxopropanenitrile,2-cyanoacetylfuran,2-furanoylacetonitrile,2-furoyl acetonitrile,pubchem11959,acmc-1cock,2-2-furanoyl acetonitrile PubChem CID: 141671 IUPAC Name: 3-(furan-2-yl)-3-oxopropanenitrile SMILES: O=C(CC#N)C1=CC=CO1
PubChem CID | 141671 |
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CAS | 31909-58-7 |
Molecular Weight (g/mol) | 135.12 |
MDL Number | MFCD00052210 |
SMILES | O=C(CC#N)C1=CC=CO1 |
Synonym | 2-furoylacetonitrile,3-furan-2-yl-3-oxopropanenitrile,3-2-furyl-3-oxopropanenitrile,2-cyanoacetylfuran,2-furanoylacetonitrile,2-furoyl acetonitrile,pubchem11959,acmc-1cock,2-2-furanoyl acetonitrile |
IUPAC Name | 3-(furan-2-yl)-3-oxopropanenitrile |
InChI Key | RZNSHBXVTAHWPP-UHFFFAOYSA-N |
Molecular Formula | C7H5NO2 |
2-Acetylpyrrole, 98%
CAS: 1072-83-9 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 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 |
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CAS | 1072-83-9 |
Molecular Weight (g/mol) | 109.128 |
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 |