Organooxygen compounds
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Ethyl 4-chloroacetoacetate, 98%
CAS: 638-07-3 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.59 MDL Number: MFCD00000939 InChI Key: OHLRLMWUFVDREV-UHFFFAOYSA-N Synonym: ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate PubChem CID: 69484 IUPAC Name: ethyl 4-chloro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)CCl
| PubChem CID | 69484 |
|---|---|
| CAS | 638-07-3 |
| Molecular Weight (g/mol) | 164.59 |
| MDL Number | MFCD00000939 |
| SMILES | CCOC(=O)CC(=O)CCl |
| Synonym | ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate |
| IUPAC Name | ethyl 4-chloro-3-oxobutanoate |
| InChI Key | OHLRLMWUFVDREV-UHFFFAOYSA-N |
| Molecular Formula | C6H9ClO3 |
4-Acetylbenzoic acid, 98%
CAS: 586-89-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002561 InChI Key: QBHDSQZASIBAAI-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid PubChem CID: 11470 IUPAC Name: 4-acetylbenzoic acid SMILES: CC(=O)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 11470 |
|---|---|
| CAS | 586-89-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00002561 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid |
| IUPAC Name | 4-acetylbenzoic acid |
| InChI Key | QBHDSQZASIBAAI-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
4-Butoxybenzaldehyde, 99%, Thermo Scientific™
CAS: 5736-88-9 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00003389 InChI Key: XHWMNHADTZZHGI-UHFFFAOYSA-N Synonym: p-butoxybenzaldehyde,benzaldehyde, 4-butoxy,4-n-butoxybenzaldehyde,benzaldehyde, p-butoxy,4-butoxy-benzaldehyde,p-n-butoxybenzaldehyde,4-n-butyloxybenzaldehyde,acmc-209lxn,p-n-butoxy benzaldehyde,4-butoxybenzaldehyde PubChem CID: 79813 IUPAC Name: 4-butoxybenzaldehyde SMILES: CCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 79813 |
|---|---|
| CAS | 5736-88-9 |
| Molecular Weight (g/mol) | 178.23 |
| MDL Number | MFCD00003389 |
| SMILES | CCCCOC1=CC=C(C=C1)C=O |
| Synonym | p-butoxybenzaldehyde,benzaldehyde, 4-butoxy,4-n-butoxybenzaldehyde,benzaldehyde, p-butoxy,4-butoxy-benzaldehyde,p-n-butoxybenzaldehyde,4-n-butyloxybenzaldehyde,acmc-209lxn,p-n-butoxy benzaldehyde,4-butoxybenzaldehyde |
| IUPAC Name | 4-butoxybenzaldehyde |
| InChI Key | XHWMNHADTZZHGI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Methyl 4-formylbenzoate, 99%
CAS: 1571-08-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00006950 InChI Key: FEIOASZZURHTHB-UHFFFAOYSA-N Synonym: methyl p-formylbenzoate,4-carbomethoxybenzaldehyde,methyl terephthalaldehydate,4-methoxycarbonyl benzaldehyde,benzoic acid, 4-formyl-, methyl ester,p-carbomethoxybenzaldehyde,methyl terephthaldehydate,methyl4-formylbenzoate,4-formylbenzoic acid methyl ester,methyl-p-formyl benzoate PubChem CID: 15294 IUPAC Name: methyl 4-formylbenzoate SMILES: COC(=O)C1=CC=C(C=O)C=C1
| PubChem CID | 15294 |
|---|---|
| CAS | 1571-08-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00006950 |
| SMILES | COC(=O)C1=CC=C(C=O)C=C1 |
| Synonym | methyl p-formylbenzoate,4-carbomethoxybenzaldehyde,methyl terephthalaldehydate,4-methoxycarbonyl benzaldehyde,benzoic acid, 4-formyl-, methyl ester,p-carbomethoxybenzaldehyde,methyl terephthaldehydate,methyl4-formylbenzoate,4-formylbenzoic acid methyl ester,methyl-p-formyl benzoate |
| IUPAC Name | methyl 4-formylbenzoate |
| InChI Key | FEIOASZZURHTHB-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
Acetylacetaldehyde dimethyl acetal, 92%
CAS: 5436-21-5 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00008789 InChI Key: PJCCSZUMZMCWSX-UHFFFAOYSA-N Synonym: 4,4-dimethoxy-2-butanone,acetylacetaldehyde dimethyl acetal,2-butanone, 4,4-dimethoxy,1,1-dimethoxy-3-butanone,acetoacetaldehyde dimethyl acetal,3-oxobutyraldehyde dimethyl acetal,4,4-dimethoxybutanone,acetylacetaldehyddimethylacetal,3-ketobutyraldehyde dimethylacetal,formylacetone dimethyl acetal PubChem CID: 228548 IUPAC Name: 4,4-dimethoxybutan-2-one SMILES: COC(CC(C)=O)OC
| PubChem CID | 228548 |
|---|---|
| CAS | 5436-21-5 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00008789 |
| SMILES | COC(CC(C)=O)OC |
| Synonym | 4,4-dimethoxy-2-butanone,acetylacetaldehyde dimethyl acetal,2-butanone, 4,4-dimethoxy,1,1-dimethoxy-3-butanone,acetoacetaldehyde dimethyl acetal,3-oxobutyraldehyde dimethyl acetal,4,4-dimethoxybutanone,acetylacetaldehyddimethylacetal,3-ketobutyraldehyde dimethylacetal,formylacetone dimethyl acetal |
| IUPAC Name | 4,4-dimethoxybutan-2-one |
| InChI Key | PJCCSZUMZMCWSX-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
5-Bromoindole-3-carboxaldehyde, 97%
CAS: 877-03-2 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.05 MDL Number: MFCD00152016 InChI Key: PEENKJZANBYXNB-UHFFFAOYSA-N Synonym: 5-bromoindole-3-carboxaldehyde,5-bromoindole-3-carbaldehyde,5-bromoindole-3-carboxyaldehyde,5-bromo-3-formylindole,5-bromoindole-3-aldehyde,5-bromo-3-formyl-1h-indole,5-bromo-1h-indole-3-carboxaldehyde,1h-indole-3-carboxaldehyde, 5-bromo,pubchem9122,acmc-209qpj PubChem CID: 70137 IUPAC Name: 5-bromo-1H-indole-3-carbaldehyde SMILES: C1=CC2=C(C=C1Br)C(=CN2)C=O
| PubChem CID | 70137 |
|---|---|
| CAS | 877-03-2 |
| Molecular Weight (g/mol) | 224.05 |
| MDL Number | MFCD00152016 |
| SMILES | C1=CC2=C(C=C1Br)C(=CN2)C=O |
| Synonym | 5-bromoindole-3-carboxaldehyde,5-bromoindole-3-carbaldehyde,5-bromoindole-3-carboxyaldehyde,5-bromo-3-formylindole,5-bromoindole-3-aldehyde,5-bromo-3-formyl-1h-indole,5-bromo-1h-indole-3-carboxaldehyde,1h-indole-3-carboxaldehyde, 5-bromo,pubchem9122,acmc-209qpj |
| IUPAC Name | 5-bromo-1H-indole-3-carbaldehyde |
| InChI Key | PEENKJZANBYXNB-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
4-(2-Pyridylazo)resorcinol, 97+%
CAS: 1141-59-9 Molecular Formula: C11H9N3O2 Molecular Weight (g/mol): 215.21 MDL Number: MFCD00006256 InChI Key: VLCAILLZPUINNF-LCYFTJDESA-N Synonym: 4-2-pyridylazo resorcinol,4-2-pyridlyazo resorcinol,4-2-pyridylazo-2-resorcinol,resorcinol, 4-2-pyridylazo,1-2-pyridylazo resorcinol,unii-n68t40h95t,1,3-benzenediol, 4-2-pyridinylazo,4-pyridin-2-yldiazenyl benzene-1,3-diol,4-2-pyridylazo-1,3-benzenediol,1,3-benzenediol, 4-2-2-pyridinyl diazenyl PubChem CID: 5474737 IUPAC Name: (4Z)-3-hydroxy-4-(pyridin-2-ylhydrazinylidene)cyclohexa-2,5-dien-1-one SMILES: C1=CC=NC(=C1)NN=C2C=CC(=O)C=C2O
| PubChem CID | 5474737 |
|---|---|
| CAS | 1141-59-9 |
| Molecular Weight (g/mol) | 215.21 |
| MDL Number | MFCD00006256 |
| SMILES | C1=CC=NC(=C1)NN=C2C=CC(=O)C=C2O |
| Synonym | 4-2-pyridylazo resorcinol,4-2-pyridlyazo resorcinol,4-2-pyridylazo-2-resorcinol,resorcinol, 4-2-pyridylazo,1-2-pyridylazo resorcinol,unii-n68t40h95t,1,3-benzenediol, 4-2-pyridinylazo,4-pyridin-2-yldiazenyl benzene-1,3-diol,4-2-pyridylazo-1,3-benzenediol,1,3-benzenediol, 4-2-2-pyridinyl diazenyl |
| IUPAC Name | (4Z)-3-hydroxy-4-(pyridin-2-ylhydrazinylidene)cyclohexa-2,5-dien-1-one |
| InChI Key | VLCAILLZPUINNF-LCYFTJDESA-N |
| Molecular Formula | C11H9N3O2 |
Ascorbic Acid, Reagent, ACS, 99%, Spectrum™ Chemical
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CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| CAS | 50-81-7 |
|---|---|
| Molecular Weight (g/mol) | 176.12 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| IUPAC Name | (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
Ascorbic Acid, USP, 99-100.5%, Spectrum™ Chemical
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CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| CAS | 50-81-7 |
|---|---|
| Molecular Weight (g/mol) | 176.12 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| IUPAC Name | (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
1-Eicosanol, 96%
CAS: 629-96-9 Molecular Formula: C20H42O Molecular Weight (g/mol): 298.56 MDL Number: MFCD00002938 InChI Key: BTFJIXJJCSYFAL-UHFFFAOYSA-N Synonym: 1-eicosanol,arachidyl alcohol,n-eicosanol,arachidic alcohol,arachic alcohol,eicosyl alcohol,eicosan-1-ol,eicosanol,1-icosanol,n-1-eicosanol PubChem CID: 12404 ChEBI: CHEBI:75627 IUPAC Name: icosan-1-ol SMILES: CCCCCCCCCCCCCCCCCCCCO
| PubChem CID | 12404 |
|---|---|
| CAS | 629-96-9 |
| Molecular Weight (g/mol) | 298.56 |
| ChEBI | CHEBI:75627 |
| MDL Number | MFCD00002938 |
| SMILES | CCCCCCCCCCCCCCCCCCCCO |
| Synonym | 1-eicosanol,arachidyl alcohol,n-eicosanol,arachidic alcohol,arachic alcohol,eicosyl alcohol,eicosan-1-ol,eicosanol,1-icosanol,n-1-eicosanol |
| IUPAC Name | icosan-1-ol |
| InChI Key | BTFJIXJJCSYFAL-UHFFFAOYSA-N |
| Molecular Formula | C20H42O |
2-Chlorobenzoylacetonitrile, 95%
CAS: 40018-25-5 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00051624 InChI Key: SBSWHTFHLWSSQS-UHFFFAOYSA-N Synonym: 2-chlorobenzoylacetonitrile,3-2-chlorophenyl-3-oxopropanenitrile,2-chlorobenzoyl acetonitrile,pubchem12047,acmc-1arra,0-chlorocyanoacetophenone,o-chlorobenzoyl acetonitrile,2'-chloro-2-cyanoacetophenone,timtec-bb sbb019129,2-chlorobenzoylacetonitirle PubChem CID: 2734201 IUPAC Name: 3-(2-chlorophenyl)-3-oxopropanenitrile SMILES: C1=CC=C(C(=C1)C(=O)CC#N)Cl
| PubChem CID | 2734201 |
|---|---|
| CAS | 40018-25-5 |
| Molecular Weight (g/mol) | 179.603 |
| MDL Number | MFCD00051624 |
| SMILES | C1=CC=C(C(=C1)C(=O)CC#N)Cl |
| Synonym | 2-chlorobenzoylacetonitrile,3-2-chlorophenyl-3-oxopropanenitrile,2-chlorobenzoyl acetonitrile,pubchem12047,acmc-1arra,0-chlorocyanoacetophenone,o-chlorobenzoyl acetonitrile,2'-chloro-2-cyanoacetophenone,timtec-bb sbb019129,2-chlorobenzoylacetonitirle |
| IUPAC Name | 3-(2-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | SBSWHTFHLWSSQS-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
1,4-Butanediol, BAKER™, J.T. Baker™
CAS: 110-63-4 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00002968 InChI Key: WERYXYBDKMZEQL-UHFFFAOYSA-N Synonym: 1,4-butanediol,1,4-butylene glycol,tetramethylene glycol,1,4-dihydroxybutane,1,4-tetramethylene glycol,tetramethylene 1,4-diol,sucol b,diol 14b,agrisynth b1d,unii-7xoo2le6g3 PubChem CID: 8064 ChEBI: CHEBI:41189 IUPAC Name: butane-1,4-diol SMILES: OCCCCO
| PubChem CID | 8064 |
|---|---|
| CAS | 110-63-4 |
| Molecular Weight (g/mol) | 90.12 |
| ChEBI | CHEBI:41189 |
| MDL Number | MFCD00002968 |
| SMILES | OCCCCO |
| Synonym | 1,4-butanediol,1,4-butylene glycol,tetramethylene glycol,1,4-dihydroxybutane,1,4-tetramethylene glycol,tetramethylene 1,4-diol,sucol b,diol 14b,agrisynth b1d,unii-7xoo2le6g3 |
| IUPAC Name | butane-1,4-diol |
| InChI Key | WERYXYBDKMZEQL-UHFFFAOYSA-N |
| Molecular Formula | C4H10O2 |
4-Benzyloxyindole-3-carboxaldehyde, 98%, Thermo Scientific Chemicals
CAS: 7042-71-9 Molecular Formula: C16H13NO2 Molecular Weight (g/mol): 251.29 MDL Number: MFCD00152002 InChI Key: WURDDLFAUSUSLT-UHFFFAOYSA-N Synonym: 4-benzyloxyindole-3-carboxaldehyde,4-benzyloxyindole-3-carbaldehyde,4-benzyloxy-1h-indole-3-carbaldehyde,4-phenylmethoxy-1h-indole-3-carboxaldehyde,4-phenylmethoxy indole-3-carbaldehyde,4-benayloxyindole-3-carboxaldehyde,pubchem7231,acmc-1bcm9,4-benzyloxy-3-formylindole,4-benzoxy-1h-indole-3-carbaldehyde PubChem CID: 7015846 IUPAC Name: 4-phenylmethoxy-1H-indole-3-carbaldehyde SMILES: O=CC1=CNC2=CC=CC(OCC3=CC=CC=C3)=C12
| PubChem CID | 7015846 |
|---|---|
| CAS | 7042-71-9 |
| Molecular Weight (g/mol) | 251.29 |
| MDL Number | MFCD00152002 |
| SMILES | O=CC1=CNC2=CC=CC(OCC3=CC=CC=C3)=C12 |
| Synonym | 4-benzyloxyindole-3-carboxaldehyde,4-benzyloxyindole-3-carbaldehyde,4-benzyloxy-1h-indole-3-carbaldehyde,4-phenylmethoxy-1h-indole-3-carboxaldehyde,4-phenylmethoxy indole-3-carbaldehyde,4-benayloxyindole-3-carboxaldehyde,pubchem7231,acmc-1bcm9,4-benzyloxy-3-formylindole,4-benzoxy-1h-indole-3-carbaldehyde |
| IUPAC Name | 4-phenylmethoxy-1H-indole-3-carbaldehyde |
| InChI Key | WURDDLFAUSUSLT-UHFFFAOYSA-N |
| Molecular Formula | C16H13NO2 |
1-(2'-Fluoro[1,1'-biphenyl]-4-yl)propan-1-one, 97%, Thermo Scientific™
CAS: 37989-92-7 Molecular Formula: C15H13FO Molecular Weight (g/mol): 228.266 MDL Number: MFCD00236612 InChI Key: ZXIQZWXVSBJPTC-UHFFFAOYSA-N Synonym: 1-2'-fluoro-1,1'-biphenyl-4-yl propan-1-one,1-2'-fluoro 1,1'-biphenyl-4-yl propan-1-one,1-4-2-fluorophenyl phenyl propan-1-one,4'-2-fluorophenyl propiophenone,4-2-fluorophenyl propiophenone,1-propanone,1-2'-fluoro 1,1'-biphenyl-4-yl,maybridge3_006207,2-fluoro-4'-propanoylbiphenyl PubChem CID: 2737490 IUPAC Name: 1-[4-(2-fluorophenyl)phenyl]propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2F
| PubChem CID | 2737490 |
|---|---|
| CAS | 37989-92-7 |
| Molecular Weight (g/mol) | 228.266 |
| MDL Number | MFCD00236612 |
| SMILES | CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2F |
| Synonym | 1-2'-fluoro-1,1'-biphenyl-4-yl propan-1-one,1-2'-fluoro 1,1'-biphenyl-4-yl propan-1-one,1-4-2-fluorophenyl phenyl propan-1-one,4'-2-fluorophenyl propiophenone,4-2-fluorophenyl propiophenone,1-propanone,1-2'-fluoro 1,1'-biphenyl-4-yl,maybridge3_006207,2-fluoro-4'-propanoylbiphenyl |
| IUPAC Name | 1-[4-(2-fluorophenyl)phenyl]propan-1-one |
| InChI Key | ZXIQZWXVSBJPTC-UHFFFAOYSA-N |
| Molecular Formula | C15H13FO |
4-Hydroxy-3,5-diiodobenzaldehyde, 98+%
CAS: 1948-40-9 Molecular Formula: C7H4I2O2 Molecular Weight (g/mol): 373.92 MDL Number: MFCD00014670 InChI Key: WHLUEIMENHLCMY-UHFFFAOYSA-N Synonym: 3,5-diiodo-4-hydroxybenzaldehyde,benzaldehyde, 4-hydroxy-3,5-diiodo,2,6-diiodo-4-formylphenol,4-hydroxy-3,5-diiodo-benzaldehyde,acmc-1c01x,#,benzaldehyde,4-hydroxy-3,5-diiodo PubChem CID: 74760 IUPAC Name: 4-hydroxy-3,5-diiodobenzaldehyde SMILES: OC1=C(I)C=C(C=O)C=C1I
| PubChem CID | 74760 |
|---|---|
| CAS | 1948-40-9 |
| Molecular Weight (g/mol) | 373.92 |
| MDL Number | MFCD00014670 |
| SMILES | OC1=C(I)C=C(C=O)C=C1I |
| Synonym | 3,5-diiodo-4-hydroxybenzaldehyde,benzaldehyde, 4-hydroxy-3,5-diiodo,2,6-diiodo-4-formylphenol,4-hydroxy-3,5-diiodo-benzaldehyde,acmc-1c01x,#,benzaldehyde,4-hydroxy-3,5-diiodo |
| IUPAC Name | 4-hydroxy-3,5-diiodobenzaldehyde |
| InChI Key | WHLUEIMENHLCMY-UHFFFAOYSA-N |
| Molecular Formula | C7H4I2O2 |