Organooxygen compounds
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4,4'-Dichlorobutyrophenone, 97%
CAS: 40877-09-6 Molecular Formula: C10H10Cl2O Molecular Weight (g/mol): 217.089 MDL Number: MFCD00018993 InChI Key: UKCHLVFIVJBCKE-UHFFFAOYSA-N Synonym: 4-chloro-1-4-chlorophenyl butan-1-one,4,4'-dichlorobutyrophenone,1-butanone, 4-chloro-1-4-chlorophenyl,gamma,p-dichlorobutyrophenone,4-chloro-1-4-chlorophenyl-1-oxobutane,4-chloro-1-4-chlorophenyl-1-butanone,acmc-20a5su,4',gamma-dichlorobutyrophenone,4-chloro-4'-chlorobutyrophenone,4-chloro-4'-chloro-butyrophenone PubChem CID: 2723781 IUPAC Name: 4-chloro-1-(4-chlorophenyl)butan-1-one SMILES: C1=CC(=CC=C1C(=O)CCCCl)Cl
| PubChem CID | 2723781 |
|---|---|
| CAS | 40877-09-6 |
| Molecular Weight (g/mol) | 217.089 |
| MDL Number | MFCD00018993 |
| SMILES | C1=CC(=CC=C1C(=O)CCCCl)Cl |
| Synonym | 4-chloro-1-4-chlorophenyl butan-1-one,4,4'-dichlorobutyrophenone,1-butanone, 4-chloro-1-4-chlorophenyl,gamma,p-dichlorobutyrophenone,4-chloro-1-4-chlorophenyl-1-oxobutane,4-chloro-1-4-chlorophenyl-1-butanone,acmc-20a5su,4',gamma-dichlorobutyrophenone,4-chloro-4'-chlorobutyrophenone,4-chloro-4'-chloro-butyrophenone |
| IUPAC Name | 4-chloro-1-(4-chlorophenyl)butan-1-one |
| InChI Key | UKCHLVFIVJBCKE-UHFFFAOYSA-N |
| Molecular Formula | C10H10Cl2O |
Isobutyrophenone, 97%
CAS: 611-70-1 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00008917 InChI Key: BSMGLVDZZMBWQB-UHFFFAOYSA-N Synonym: isobutyrophenone,isopropyl phenyl ketone,2-methylpropiophenone,1-propanone, 2-methyl-1-phenyl,phenyl isopropyl ketone,isopropyl phenyl keton,alpha-methylpropiophenone,unii-8l53972ntz,.alpha.-methylpropiophenone,2-methyl-1-phenyl-1-propanone PubChem CID: 69144 IUPAC Name: 2-methyl-1-phenylpropan-1-one SMILES: CC(C)C(=O)C1=CC=CC=C1
| PubChem CID | 69144 |
|---|---|
| CAS | 611-70-1 |
| Molecular Weight (g/mol) | 148.21 |
| MDL Number | MFCD00008917 |
| SMILES | CC(C)C(=O)C1=CC=CC=C1 |
| Synonym | isobutyrophenone,isopropyl phenyl ketone,2-methylpropiophenone,1-propanone, 2-methyl-1-phenyl,phenyl isopropyl ketone,isopropyl phenyl keton,alpha-methylpropiophenone,unii-8l53972ntz,.alpha.-methylpropiophenone,2-methyl-1-phenyl-1-propanone |
| IUPAC Name | 2-methyl-1-phenylpropan-1-one |
| InChI Key | BSMGLVDZZMBWQB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
Ethyl thiophene-2-glyoxylate, 97%
CAS: 4075-58-5 Molecular Formula: C8H8O3S Molecular Weight (g/mol): 184.209 MDL Number: MFCD00015538 InChI Key: GHOVLEQTRNXASK-UHFFFAOYSA-N Synonym: ethyl thiophene-2-glyoxylate,ethyl 2-oxo-2-thiophen-2-yl acetate,ethyl 2-oxo-2-2-thienyl acetate,ethyl alpha-oxothiophen-2-acetate,ethyl 2-thienylglyoxylate,thiophen-2-coco-o-ethyl,2-thiophene glyoxylic acid ethyl ester,oxo-thiophen-2-yl-acetic acid ethyl ester,2-thiophene glyoxalicacid ethyl ester,ethyl oxo 2-thienyl acetate PubChem CID: 77693 IUPAC Name: ethyl 2-oxo-2-thiophen-2-ylacetate SMILES: CCOC(=O)C(=O)C1=CC=CS1
| PubChem CID | 77693 |
|---|---|
| CAS | 4075-58-5 |
| Molecular Weight (g/mol) | 184.209 |
| MDL Number | MFCD00015538 |
| SMILES | CCOC(=O)C(=O)C1=CC=CS1 |
| Synonym | ethyl thiophene-2-glyoxylate,ethyl 2-oxo-2-thiophen-2-yl acetate,ethyl 2-oxo-2-2-thienyl acetate,ethyl alpha-oxothiophen-2-acetate,ethyl 2-thienylglyoxylate,thiophen-2-coco-o-ethyl,2-thiophene glyoxylic acid ethyl ester,oxo-thiophen-2-yl-acetic acid ethyl ester,2-thiophene glyoxalicacid ethyl ester,ethyl oxo 2-thienyl acetate |
| IUPAC Name | ethyl 2-oxo-2-thiophen-2-ylacetate |
| InChI Key | GHOVLEQTRNXASK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3S |
1-Methylcyclopentanol, 98%
CAS: 1462-03-9 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00001364 InChI Key: CAKWRXVKWGUISE-UHFFFAOYSA-N PubChem CID: 73830 IUPAC Name: 1-methylcyclopentan-1-ol SMILES: CC1(CCCC1)O
| PubChem CID | 73830 |
|---|---|
| CAS | 1462-03-9 |
| Molecular Weight (g/mol) | 100.161 |
| MDL Number | MFCD00001364 |
| SMILES | CC1(CCCC1)O |
| IUPAC Name | 1-methylcyclopentan-1-ol |
| InChI Key | CAKWRXVKWGUISE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
Cyclohexyl phenyl ketone, 98%
CAS: 712-50-5 Molecular Formula: C13H16O Molecular Weight (g/mol): 188.27 MDL Number: MFCD00001467 InChI Key: BMFYCFSWWDXEPB-UHFFFAOYSA-N Synonym: cyclohexyl phenyl ketone,cyclohexyl phenyl methanone,benzoylcyclohexane,cyclohexylphenylketone,benzoyl cyclohexane,phenyl cyclohexyl ketone,methanone, cyclohexylphenyl,cyclohexyl-phenyl-methanone,usaf kf-3,cyclohexylphenyl ketone PubChem CID: 12837 IUPAC Name: cyclohexyl(phenyl)methanone SMILES: C1CCC(CC1)C(=O)C2=CC=CC=C2
| PubChem CID | 12837 |
|---|---|
| CAS | 712-50-5 |
| Molecular Weight (g/mol) | 188.27 |
| MDL Number | MFCD00001467 |
| SMILES | C1CCC(CC1)C(=O)C2=CC=CC=C2 |
| Synonym | cyclohexyl phenyl ketone,cyclohexyl phenyl methanone,benzoylcyclohexane,cyclohexylphenylketone,benzoyl cyclohexane,phenyl cyclohexyl ketone,methanone, cyclohexylphenyl,cyclohexyl-phenyl-methanone,usaf kf-3,cyclohexylphenyl ketone |
| IUPAC Name | cyclohexyl(phenyl)methanone |
| InChI Key | BMFYCFSWWDXEPB-UHFFFAOYSA-N |
| Molecular Formula | C13H16O |
1-Methoxynaphthalene, 98+%
CAS: 2216-69-5 Molecular Formula: C11H10O Molecular Weight (g/mol): 158.2 MDL Number: MFCD00003924 InChI Key: NQMUGNMMFTYOHK-UHFFFAOYSA-N Synonym: naphthalene, 1-methoxy,methyl 1-naphthyl ether,1-methoxy naphthalene,naphthalene, methoxy,alpha-methoxynaphthalene,unii-dg2eol57lf,.alpha.-methoxynaphthalene,methoxynaphthalene,alpha-naphthyl methyl ether,dg2eol57lf PubChem CID: 16668 IUPAC Name: 1-methoxynaphthalene SMILES: COC1=CC=CC2=CC=CC=C21
| PubChem CID | 16668 |
|---|---|
| CAS | 2216-69-5 |
| Molecular Weight (g/mol) | 158.2 |
| MDL Number | MFCD00003924 |
| SMILES | COC1=CC=CC2=CC=CC=C21 |
| Synonym | naphthalene, 1-methoxy,methyl 1-naphthyl ether,1-methoxy naphthalene,naphthalene, methoxy,alpha-methoxynaphthalene,unii-dg2eol57lf,.alpha.-methoxynaphthalene,methoxynaphthalene,alpha-naphthyl methyl ether,dg2eol57lf |
| IUPAC Name | 1-methoxynaphthalene |
| InChI Key | NQMUGNMMFTYOHK-UHFFFAOYSA-N |
| Molecular Formula | C11H10O |
9,10-Anthraquinone-2-sulfonic acid sodium salt hydrate, 97% (dry wt.), water ca 4-6%
CAS: 153277-35-1 Molecular Formula: C14H7NaO5S Molecular Weight (g/mol): 310.255 MDL Number: MFCD00149068 InChI Key: GGCZERPQGJTIQP-UHFFFAOYSA-M Synonym: sodium anthraquinone-2-sulfonate,anthraquinone-2-sulfonic acid sodium salt,sodium 2-anthraquinonesulfonate,unii-511h72sdvx,sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,2-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt,sodium 2-anthrachinonesulphonate,2-anthraquinone sodium sulfonate,2-anthraquinonesulfonic acid sodium salt,sodium-2-anthrachinonesulphonate PubChem CID: 23661981 IUPAC Name: sodium;9,10-dioxoanthracene-2-sulfonate SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]
| PubChem CID | 23661981 |
|---|---|
| CAS | 153277-35-1 |
| Molecular Weight (g/mol) | 310.255 |
| MDL Number | MFCD00149068 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+] |
| Synonym | sodium anthraquinone-2-sulfonate,anthraquinone-2-sulfonic acid sodium salt,sodium 2-anthraquinonesulfonate,unii-511h72sdvx,sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,2-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt,sodium 2-anthrachinonesulphonate,2-anthraquinone sodium sulfonate,2-anthraquinonesulfonic acid sodium salt,sodium-2-anthrachinonesulphonate |
| IUPAC Name | sodium;9,10-dioxoanthracene-2-sulfonate |
| InChI Key | GGCZERPQGJTIQP-UHFFFAOYSA-M |
| Molecular Formula | C14H7NaO5S |
Chloroacetaldehyde dimethyl acetal, 97%
CAS: 97-97-2 Molecular Formula: C4H9ClO2 Molecular Weight (g/mol): 124.56 MDL Number: MFCD00000948 InChI Key: CRZJPEIBPQWDGJ-UHFFFAOYSA-N Synonym: chloroacetaldehyde dimethyl acetal,dimethylchloroacetal,dimethyl chloroacetal,dimethyl chloracetal,ethane, 2-chloro-1,1-dimethoxy,2-chloro-1,1-dimethoxy-ethane,chloroacetaldehyde, dimethyl acetal,2-chloroacetaldehyde, dimethyl acetal,methyl chloroacetal,1-chloro-2,2-dimethoxyethane PubChem CID: 60986 IUPAC Name: 2-chloro-1,1-dimethoxyethane SMILES: COC(CCl)OC
| PubChem CID | 60986 |
|---|---|
| CAS | 97-97-2 |
| Molecular Weight (g/mol) | 124.56 |
| MDL Number | MFCD00000948 |
| SMILES | COC(CCl)OC |
| Synonym | chloroacetaldehyde dimethyl acetal,dimethylchloroacetal,dimethyl chloroacetal,dimethyl chloracetal,ethane, 2-chloro-1,1-dimethoxy,2-chloro-1,1-dimethoxy-ethane,chloroacetaldehyde, dimethyl acetal,2-chloroacetaldehyde, dimethyl acetal,methyl chloroacetal,1-chloro-2,2-dimethoxyethane |
| IUPAC Name | 2-chloro-1,1-dimethoxyethane |
| InChI Key | CRZJPEIBPQWDGJ-UHFFFAOYSA-N |
| Molecular Formula | C4H9ClO2 |
3'-Benzyloxyacetophenone, 97%
CAS: 34068-01-4 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00026221 InChI Key: FGQMEAWGAUALJQ-UHFFFAOYSA-N Synonym: 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene PubChem CID: 98689 IUPAC Name: 1-(3-phenylmethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2
| PubChem CID | 98689 |
|---|---|
| CAS | 34068-01-4 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD00026221 |
| SMILES | CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2 |
| Synonym | 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene |
| IUPAC Name | 1-(3-phenylmethoxyphenyl)ethanone |
| InChI Key | FGQMEAWGAUALJQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
Glyoxylic acid, 50% w/w aq. soln.
CAS: 298-12-4 Molecular Formula: C2H2O3 Molecular Weight (g/mol): 74.035 MDL Number: MFCD00006958 InChI Key: HHLFWLYXYJOTON-UHFFFAOYSA-N Synonym: glyoxylic acid,2-oxoacetic acid,oxoacetic acid,oxoethanoic acid,glyoxalic acid,formylformic acid,acetic acid, oxo,oxalaldehydic acid,glyoxylate,alpha-ketoacetic acid PubChem CID: 760 ChEBI: CHEBI:16891 IUPAC Name: oxaldehydic acid SMILES: C(=O)C(=O)O
| PubChem CID | 760 |
|---|---|
| CAS | 298-12-4 |
| Molecular Weight (g/mol) | 74.035 |
| ChEBI | CHEBI:16891 |
| MDL Number | MFCD00006958 |
| SMILES | C(=O)C(=O)O |
| Synonym | glyoxylic acid,2-oxoacetic acid,oxoacetic acid,oxoethanoic acid,glyoxalic acid,formylformic acid,acetic acid, oxo,oxalaldehydic acid,glyoxylate,alpha-ketoacetic acid |
| IUPAC Name | oxaldehydic acid |
| InChI Key | HHLFWLYXYJOTON-UHFFFAOYSA-N |
| Molecular Formula | C2H2O3 |
2-Naphthaldehyde, 98%
CAS: 66-99-9 Molecular Formula: C11H8O Molecular Weight (g/mol): 156.184 MDL Number: MFCD00004094 InChI Key: PJKVFARRVXDXAD-UHFFFAOYSA-N Synonym: 2-naphthaldehyde,2-naphthalenecarboxaldehyde,2-formylnaphthalene,beta-naphthaldehyde,beta-formylnaphthalene,beta-naphthylaldehyde,beta-naphthylcarboxaldehyde,.beta.-naphthaldehyde,.beta.-naphthylaldehyde,.beta.-formylnaphthalene PubChem CID: 6201 ChEBI: CHEBI:52368 IUPAC Name: naphthalene-2-carbaldehyde SMILES: C1=CC=C2C=C(C=CC2=C1)C=O
| PubChem CID | 6201 |
|---|---|
| CAS | 66-99-9 |
| Molecular Weight (g/mol) | 156.184 |
| ChEBI | CHEBI:52368 |
| MDL Number | MFCD00004094 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)C=O |
| Synonym | 2-naphthaldehyde,2-naphthalenecarboxaldehyde,2-formylnaphthalene,beta-naphthaldehyde,beta-formylnaphthalene,beta-naphthylaldehyde,beta-naphthylcarboxaldehyde,.beta.-naphthaldehyde,.beta.-naphthylaldehyde,.beta.-formylnaphthalene |
| IUPAC Name | naphthalene-2-carbaldehyde |
| InChI Key | PJKVFARRVXDXAD-UHFFFAOYSA-N |
| Molecular Formula | C11H8O |
Methyl 2-oxocyclopentanecarboxylate, 97%
CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O
| PubChem CID | 66328 |
|---|---|
| CAS | 10472-24-9 |
| Molecular Weight (g/mol) | 142.154 |
| MDL Number | MFCD00001411 |
| SMILES | COC(=O)C1CCCC1=O |
| Synonym | methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane |
| IUPAC Name | methyl 2-oxocyclopentane-1-carboxylate |
| InChI Key | PZBBESSUKAHBHD-UHFFFAOYSA-N |
| Molecular Formula | C7H10O3 |
5-Methoxyindole, 99%
CAS: 1006-94-6 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00005674 InChI Key: DWAQDRSOVMLGRQ-UHFFFAOYSA-N Synonym: 5-methoxyindole,1h-indole, 5-methoxy,femedol,5-methoxy indole,indol-5-yl methyl ether,indole, 5-methoxy,methoxy-5 indole,unii-dqm3as43pq,methoxy-5 indole french,methoxyindole 5- PubChem CID: 13872 IUPAC Name: 5-methoxy-1H-indole SMILES: COC1=CC2=C(C=C1)NC=C2
| PubChem CID | 13872 |
|---|---|
| CAS | 1006-94-6 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00005674 |
| SMILES | COC1=CC2=C(C=C1)NC=C2 |
| Synonym | 5-methoxyindole,1h-indole, 5-methoxy,femedol,5-methoxy indole,indol-5-yl methyl ether,indole, 5-methoxy,methoxy-5 indole,unii-dqm3as43pq,methoxy-5 indole french,methoxyindole 5- |
| IUPAC Name | 5-methoxy-1H-indole |
| InChI Key | DWAQDRSOVMLGRQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
Phenanthrene-9-carboxaldehyde, 97%
CAS: 4707-71-5 Molecular Formula: C15H10O Molecular Weight (g/mol): 206.24 MDL Number: MFCD00001175 InChI Key: QECIGCMPORCORE-UHFFFAOYSA-N Synonym: 9-phenanthrenecarboxaldehyde,phenanthrene-9-carboxaldehyde,9-formylphenanthrene,phenanthrene-9-aldehyde,9-phenanthrenecarbaldehyde,9-phenanthrenealdehyde,9-phenanthrencarbaldehyd,9-phenanthraldehyde,9-phenanthrenaldehyde,phenanthren-9-aldehyd PubChem CID: 78437 IUPAC Name: phenanthrene-9-carbaldehyde SMILES: O=CC1=CC2=CC=CC=C2C2=CC=CC=C12
| PubChem CID | 78437 |
|---|---|
| CAS | 4707-71-5 |
| Molecular Weight (g/mol) | 206.24 |
| MDL Number | MFCD00001175 |
| SMILES | O=CC1=CC2=CC=CC=C2C2=CC=CC=C12 |
| Synonym | 9-phenanthrenecarboxaldehyde,phenanthrene-9-carboxaldehyde,9-formylphenanthrene,phenanthrene-9-aldehyde,9-phenanthrenecarbaldehyde,9-phenanthrenealdehyde,9-phenanthrencarbaldehyd,9-phenanthraldehyde,9-phenanthrenaldehyde,phenanthren-9-aldehyd |
| IUPAC Name | phenanthrene-9-carbaldehyde |
| InChI Key | QECIGCMPORCORE-UHFFFAOYSA-N |
| Molecular Formula | C15H10O |
2,6-Diacetylpyridine, 99%
CAS: 1129-30-2 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00006304 InChI Key: BEZVGIHGZPLGBL-UHFFFAOYSA-N Synonym: 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 PubChem CID: 70790 IUPAC Name: 1-(6-acetylpyridin-2-yl)ethanone SMILES: CC(=O)C1=CC=CC(=N1)C(C)=O
| PubChem CID | 70790 |
|---|---|
| CAS | 1129-30-2 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD00006304 |
| SMILES | CC(=O)C1=CC=CC(=N1)C(C)=O |
| Synonym | 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 |
| IUPAC Name | 1-(6-acetylpyridin-2-yl)ethanone |
| InChI Key | BEZVGIHGZPLGBL-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |