
Organooxygen compounds
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Phenylglyoxal monohydrate, 97%
CAS: 1074-12-0 Molecular Formula: C8H6O2·H2O Molecular Weight (g/mol): 152.15 MDL Number: MFCD00149499 InChI Key: NBIBDIKAOBCFJN-UHFFFAOYSA-N Synonym: dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone PubChem CID: 99611 IUPAC Name: 2,2-dihydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(O)O
PubChem CID | 99611 |
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CAS | 1074-12-0 |
Molecular Weight (g/mol) | 152.15 |
MDL Number | MFCD00149499 |
SMILES | C1=CC=C(C=C1)C(=O)C(O)O |
Synonym | dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone |
IUPAC Name | 2,2-dihydroxy-1-phenylethanone |
InChI Key | NBIBDIKAOBCFJN-UHFFFAOYSA-N |
Molecular Formula | C8H6O2·H2O |
2-Chlorocyclohexanone, 95%, stabilized
CAS: 822-87-7 Molecular Formula: C6H9ClO Molecular Weight (g/mol): 132.59 MDL Number: MFCD00001626 InChI Key: CCHNWURRBFGQCD-UHFFFAOYNA-N Synonym: 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted PubChem CID: 13203 IUPAC Name: 2-chlorocyclohexan-1-one SMILES: ClC1CCCCC1=O
PubChem CID | 13203 |
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CAS | 822-87-7 |
Molecular Weight (g/mol) | 132.59 |
MDL Number | MFCD00001626 |
SMILES | ClC1CCCCC1=O |
Synonym | 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted |
IUPAC Name | 2-chlorocyclohexan-1-one |
InChI Key | CCHNWURRBFGQCD-UHFFFAOYNA-N |
Molecular Formula | C6H9ClO |
4'-Chloroacetophenone, 98+%
CAS: 99-91-2 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.59 MDL Number: MFCD00000624 InChI Key: BUZYGTVTZYSBCU-UHFFFAOYSA-N Synonym: 4'-chloroacetophenone,1-4-chlorophenyl ethanone,4-chloroacetophenone,p-chloroacetophenone,ethanone, 1-4-chlorophenyl,acetophenone, 4'-chloro,1-4-chlorophenyl ethan-1-one,4-acetylchlorobenzene,p-chloracetophenone,p-acetylchlorobenzene PubChem CID: 7467 ChEBI: CHEBI:27538 IUPAC Name: 1-(4-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=C(Cl)C=C1
PubChem CID | 7467 |
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CAS | 99-91-2 |
Molecular Weight (g/mol) | 154.59 |
ChEBI | CHEBI:27538 |
MDL Number | MFCD00000624 |
SMILES | CC(=O)C1=CC=C(Cl)C=C1 |
Synonym | 4'-chloroacetophenone,1-4-chlorophenyl ethanone,4-chloroacetophenone,p-chloroacetophenone,ethanone, 1-4-chlorophenyl,acetophenone, 4'-chloro,1-4-chlorophenyl ethan-1-one,4-acetylchlorobenzene,p-chloracetophenone,p-acetylchlorobenzene |
IUPAC Name | 1-(4-chlorophenyl)ethanone |
InChI Key | BUZYGTVTZYSBCU-UHFFFAOYSA-N |
Molecular Formula | C8H7ClO |
Pyrogallol, 99%
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 |
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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 |
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 |
2',6'-Dihydroxyacetophenone, 98+%
CAS: 699-83-2 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002270 InChI Key: YPTJKHVBDCRKNF-UHFFFAOYSA-N Synonym: 2',6'-dihydroxyacetophenone,1-2,6-dihydroxyphenyl ethanone,2,6-dihydroxyacetophenone,2-acetylresorcinol,resorcinol, 2-acetyl,1-2,6-dihydroxyphenyl ethan-1-one,2,6-dihydroxy acetophenone,gamma-resacetophenone,ethanone, 1-2,6-dihydroxyphenyl,unii-88bo51g3y2 PubChem CID: 69687 IUPAC Name: 1-(2,6-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1O)O
PubChem CID | 69687 |
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CAS | 699-83-2 |
Molecular Weight (g/mol) | 152.149 |
MDL Number | MFCD00002270 |
SMILES | CC(=O)C1=C(C=CC=C1O)O |
Synonym | 2',6'-dihydroxyacetophenone,1-2,6-dihydroxyphenyl ethanone,2,6-dihydroxyacetophenone,2-acetylresorcinol,resorcinol, 2-acetyl,1-2,6-dihydroxyphenyl ethan-1-one,2,6-dihydroxy acetophenone,gamma-resacetophenone,ethanone, 1-2,6-dihydroxyphenyl,unii-88bo51g3y2 |
IUPAC Name | 1-(2,6-dihydroxyphenyl)ethanone |
InChI Key | YPTJKHVBDCRKNF-UHFFFAOYSA-N |
Molecular Formula | C8H8O3 |
Thiophene-3-carboxaldehyde, 96%
CAS: 498-62-4 Molecular Formula: C5H4OS Molecular Weight (g/mol): 112.146 MDL Number: MFCD00005466 InChI Key: RBIGKSZIQCTIJF-UHFFFAOYSA-N Synonym: 3-thiophenecarboxaldehyde,thiophene-3-carboxaldehyde,3-formylthiophene,3-thenaldehyde,3-formyl-thiophene,3-thiophenealdehyde,thiophene-3-aldehyde,3-thiophene carboxaldehyde,3-thiophenecarbaldehyde,3-thiophenaldehyde PubChem CID: 68135 ChEBI: CHEBI:87611 IUPAC Name: thiophene-3-carbaldehyde SMILES: C1=CSC=C1C=O
PubChem CID | 68135 |
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CAS | 498-62-4 |
Molecular Weight (g/mol) | 112.146 |
ChEBI | CHEBI:87611 |
MDL Number | MFCD00005466 |
SMILES | C1=CSC=C1C=O |
Synonym | 3-thiophenecarboxaldehyde,thiophene-3-carboxaldehyde,3-formylthiophene,3-thenaldehyde,3-formyl-thiophene,3-thiophenealdehyde,thiophene-3-aldehyde,3-thiophene carboxaldehyde,3-thiophenecarbaldehyde,3-thiophenaldehyde |
IUPAC Name | thiophene-3-carbaldehyde |
InChI Key | RBIGKSZIQCTIJF-UHFFFAOYSA-N |
Molecular Formula | C5H4OS |
Metaldehyde, 98%
CAS: 108-62-3 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.212 MDL Number: MFCD00071549 InChI Key: GKKDCARASOJPNG-UHFFFAOYSA-N Synonym: metaldehyde,metacetaldehyde,cekumeta,ariotox,halizan,metason,acetaldehyde, tetramer,slug-tox,corry's slug death,metaldehyd PubChem CID: 61021 ChEBI: CHEBI:81931 IUPAC Name: 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane SMILES: CC1OC(OC(OC(O1)C)C)C
PubChem CID | 61021 |
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CAS | 108-62-3 |
Molecular Weight (g/mol) | 176.212 |
ChEBI | CHEBI:81931 |
MDL Number | MFCD00071549 |
SMILES | CC1OC(OC(OC(O1)C)C)C |
Synonym | metaldehyde,metacetaldehyde,cekumeta,ariotox,halizan,metason,acetaldehyde, tetramer,slug-tox,corry's slug death,metaldehyd |
IUPAC Name | 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane |
InChI Key | GKKDCARASOJPNG-UHFFFAOYSA-N |
Molecular Formula | C8H16O4 |
3,5-Dihydroxybenzaldehyde, 98%
CAS: 26153-38-8 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00016611 InChI Key: HAQLHRYUDBKTJG-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dihydroxy,3,5-dihydroxy benzaldehyde,5-formylresorcinol,5-formylbenzene-1,3-diol,pubchem8249,alpha-resorcylic aldehyde,acmc-1cg7h,3,5-dihydoxybenzal dehyde,3,5-dihydroxy-benzaldehyde,.alpha.-resorcylic aldehyde PubChem CID: 94365 ChEBI: CHEBI:50204 IUPAC Name: 3,5-dihydroxybenzaldehyde SMILES: OC1=CC(C=O)=CC(O)=C1
PubChem CID | 94365 |
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CAS | 26153-38-8 |
Molecular Weight (g/mol) | 138.12 |
ChEBI | CHEBI:50204 |
MDL Number | MFCD00016611 |
SMILES | OC1=CC(C=O)=CC(O)=C1 |
Synonym | benzaldehyde, 3,5-dihydroxy,3,5-dihydroxy benzaldehyde,5-formylresorcinol,5-formylbenzene-1,3-diol,pubchem8249,alpha-resorcylic aldehyde,acmc-1cg7h,3,5-dihydoxybenzal dehyde,3,5-dihydroxy-benzaldehyde,.alpha.-resorcylic aldehyde |
IUPAC Name | 3,5-dihydroxybenzaldehyde |
InChI Key | HAQLHRYUDBKTJG-UHFFFAOYSA-N |
Molecular Formula | C7H6O3 |
4'-n-Butylacetophenone, 97%
CAS: 37920-25-5 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 MDL Number: MFCD00017500 InChI Key: MQESVSITPLILCO-UHFFFAOYSA-N Synonym: 4'-butylacetophenone,1-4-butylphenyl ethanone,ethanone, 1-4-butylphenyl,p-butylacetophenone,1-4-butylphenyl ethan-1-one,p-n-butylacetophenone,4'-n-butylacetophenone,unii-6738cf9z8v,1-acetyl-4-butylbenzene,1-4-butyl-phenyl ethanone PubChem CID: 123470 IUPAC Name: 1-(4-butylphenyl)ethanone SMILES: CCCCC1=CC=C(C=C1)C(C)=O
PubChem CID | 123470 |
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CAS | 37920-25-5 |
Molecular Weight (g/mol) | 176.26 |
MDL Number | MFCD00017500 |
SMILES | CCCCC1=CC=C(C=C1)C(C)=O |
Synonym | 4'-butylacetophenone,1-4-butylphenyl ethanone,ethanone, 1-4-butylphenyl,p-butylacetophenone,1-4-butylphenyl ethan-1-one,p-n-butylacetophenone,4'-n-butylacetophenone,unii-6738cf9z8v,1-acetyl-4-butylbenzene,1-4-butyl-phenyl ethanone |
IUPAC Name | 1-(4-butylphenyl)ethanone |
InChI Key | MQESVSITPLILCO-UHFFFAOYSA-N |
Molecular Formula | C12H16O |
Ethyl propionylacetate, 95%
CAS: 4949-44-4 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC
PubChem CID | 78656 |
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CAS | 4949-44-4 |
Molecular Weight (g/mol) | 144.17 |
MDL Number | MFCD00009317 |
SMILES | CCC(=O)CC(=O)OCC |
Synonym | ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate |
IUPAC Name | ethyl 3-oxopentanoate |
InChI Key | UDRCONFHWYGWFI-UHFFFAOYSA-N |
Molecular Formula | C7H12O3 |
Diethyl malonate, 99%
CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC
PubChem CID | 7761 |
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CAS | 105-53-3 |
Molecular Weight (g/mol) | 160.169 |
MDL Number | MFCD00009195 |
SMILES | CCOC(=O)CC(=O)OCC |
Synonym | diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van |
IUPAC Name | diethyl propanedioate |
InChI Key | IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
Molecular Formula | C7H12O4 |