Organooxygen compounds
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1-Methyl-5-phenyl-1H-pyrazole-4-carbaldehyde, Thermo Scientific™
CAS: 154927-01-2 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 InChI Key: DLMVCAXLQMJYHP-UHFFFAOYSA-N Synonym: 1-methyl-5-phenyl-1h-pyrazole-4-carbaldehyde,1-methyl-5-phenyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde,1-methyl-5-phenyl PubChem CID: 2795475 IUPAC Name: 1-methyl-5-phenylpyrazole-4-carbaldehyde SMILES: CN1C(=C(C=N1)C=O)C2=CC=CC=C2
| PubChem CID | 2795475 |
|---|---|
| CAS | 154927-01-2 |
| Molecular Weight (g/mol) | 186.214 |
| SMILES | CN1C(=C(C=N1)C=O)C2=CC=CC=C2 |
| Synonym | 1-methyl-5-phenyl-1h-pyrazole-4-carbaldehyde,1-methyl-5-phenyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde,1-methyl-5-phenyl |
| IUPAC Name | 1-methyl-5-phenylpyrazole-4-carbaldehyde |
| InChI Key | DLMVCAXLQMJYHP-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
2-Bromo-2'-nitroacetophenone, 98%, Thermo Scientific Chemicals
CAS: 6851-99-6 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.4 MDL Number: MFCD00010294 InChI Key: SGXUUCSRVVSMGK-UHFFFAOYSA-N Synonym: 2-bromo-2'-nitroacetophenone,2'-nitrophenacyl bromide,2-bromo-1-2-nitrophenyl ethanone,2-nitrophenacyl bromide,2-bromo-1-2-nitro-phenyl-ethanone,o-nitrophenacyl bromide,o-nitrophenethyl bromide,2-o-nitrophenyl ethyl bromide,2-bromo-1-2-nitrophenyl ethan-1-one,ethanone, 2-bromo-1-2-nitrophenyl PubChem CID: 244025 IUPAC Name: 2-bromo-1-(2-nitrophenyl)ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)[N+](=O)[O-]
| PubChem CID | 244025 |
|---|---|
| CAS | 6851-99-6 |
| Molecular Weight (g/mol) | 244.4 |
| MDL Number | MFCD00010294 |
| SMILES | C1=CC=C(C(=C1)C(=O)CBr)[N+](=O)[O-] |
| Synonym | 2-bromo-2'-nitroacetophenone,2'-nitrophenacyl bromide,2-bromo-1-2-nitrophenyl ethanone,2-nitrophenacyl bromide,2-bromo-1-2-nitro-phenyl-ethanone,o-nitrophenacyl bromide,o-nitrophenethyl bromide,2-o-nitrophenyl ethyl bromide,2-bromo-1-2-nitrophenyl ethan-1-one,ethanone, 2-bromo-1-2-nitrophenyl |
| IUPAC Name | 2-bromo-1-(2-nitrophenyl)ethanone |
| InChI Key | SGXUUCSRVVSMGK-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO3 |
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 |
Riboflavin USP Grade, MP Biomedicals™
CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N Synonym: Vitamin B2,Lactoflavin,Vitaming,7,8-Dimethyl-10- (D-ribo-2,3,4,5- tetrahydroxypentyl) isoalloxazine IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
| CAS | 83-88-5 |
|---|---|
| Molecular Weight (g/mol) | 376.37 |
| MDL Number | MFCD00005022 |
| SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| Synonym | Vitamin B2,Lactoflavin,Vitaming,7,8-Dimethyl-10- (D-ribo-2,3,4,5- tetrahydroxypentyl) isoalloxazine |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione |
| InChI Key | AUNGANRZJHBGPY-QTZZOOGMNA-N |
| Molecular Formula | C17H20N4O6 |
Spectrum Chemical Manufacturing Corporation Polyoxyl 40 Stearate, Type II, NF, Spectrum™ Chemical
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CAS: 9004-99-3 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.54 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| CAS | 9004-99-3 |
|---|---|
| Molecular Weight (g/mol) | 328.54 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |
2-Bromoethyl ethyl ether, 90%
CAS: 592-55-2 Molecular Formula: C4H9BrO Molecular Weight (g/mol): 153.02 MDL Number: MFCD00000237 InChI Key: MMYKTRPLXXWLBC-UHFFFAOYSA-N Synonym: 2-bromoethyl ethyl ether,2-ethoxyethyl bromide,2-bromoethoxyethane,ethane, 1-bromo-2-ethoxy,2-bromodiethyl ether,1-ethoxy-2-bromoethane,1-bromo-2-ethoxy-ethane,ether, 2-bromoethyl ethyl,2-bromoethylethylether,1-bromo-3-oxapentane PubChem CID: 61141 IUPAC Name: 1-bromo-2-ethoxyethane SMILES: CCOCCBr
| PubChem CID | 61141 |
|---|---|
| CAS | 592-55-2 |
| Molecular Weight (g/mol) | 153.02 |
| MDL Number | MFCD00000237 |
| SMILES | CCOCCBr |
| Synonym | 2-bromoethyl ethyl ether,2-ethoxyethyl bromide,2-bromoethoxyethane,ethane, 1-bromo-2-ethoxy,2-bromodiethyl ether,1-ethoxy-2-bromoethane,1-bromo-2-ethoxy-ethane,ether, 2-bromoethyl ethyl,2-bromoethylethylether,1-bromo-3-oxapentane |
| IUPAC Name | 1-bromo-2-ethoxyethane |
| InChI Key | MMYKTRPLXXWLBC-UHFFFAOYSA-N |
| Molecular Formula | C4H9BrO |
2,5-Dichlorobenzaldehyde, 98%
CAS: 6361-23-5 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00156140 InChI Key: BUXHYMZMVMNDMG-UHFFFAOYSA-N Synonym: 2,5-dichloro-benzaldehyde,2,5-dichlorobenzaldehdye,benzaldehyde, 2,5-dichloro,pubchem3081,2.5-dichlorbenzaldehyd,2,5-dichlorbenzaldehyde,acmc-1bkcw,2,5-dichloro benzaldehdye,ksc493o7f,2,5-dichlorobenzaldehyde PubChem CID: 80702 IUPAC Name: 2,5-dichlorobenzaldehyde SMILES: ClC1=CC=C(Cl)C(C=O)=C1
| PubChem CID | 80702 |
|---|---|
| CAS | 6361-23-5 |
| Molecular Weight (g/mol) | 175.01 |
| MDL Number | MFCD00156140 |
| SMILES | ClC1=CC=C(Cl)C(C=O)=C1 |
| Synonym | 2,5-dichloro-benzaldehyde,2,5-dichlorobenzaldehdye,benzaldehyde, 2,5-dichloro,pubchem3081,2.5-dichlorbenzaldehyd,2,5-dichlorbenzaldehyde,acmc-1bkcw,2,5-dichloro benzaldehdye,ksc493o7f,2,5-dichlorobenzaldehyde |
| IUPAC Name | 2,5-dichlorobenzaldehyde |
| InChI Key | BUXHYMZMVMNDMG-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
Pivaldehyde, 96%
CAS: 630-19-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00006962 InChI Key: FJJYHTVHBVXEEQ-UHFFFAOYSA-N Synonym: trimethylacetaldehyde,pivalaldehyde,pivaldehyde,propanal, 2,2-dimethyl,neopentanal,pivalic aldehyde,2,2-dimethylpropionaldehyde,unii-ssc20260qw,trimethyl acetaldehyde,trimethylacetaldehyde pivaldehyde PubChem CID: 12417 IUPAC Name: 2,2-dimethylpropanal SMILES: CC(C)(C)C=O
| PubChem CID | 12417 |
|---|---|
| CAS | 630-19-3 |
| Molecular Weight (g/mol) | 86.13 |
| MDL Number | MFCD00006962 |
| SMILES | CC(C)(C)C=O |
| Synonym | trimethylacetaldehyde,pivalaldehyde,pivaldehyde,propanal, 2,2-dimethyl,neopentanal,pivalic aldehyde,2,2-dimethylpropionaldehyde,unii-ssc20260qw,trimethyl acetaldehyde,trimethylacetaldehyde pivaldehyde |
| IUPAC Name | 2,2-dimethylpropanal |
| InChI Key | FJJYHTVHBVXEEQ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
4-Penten-1-ol, 98+%
CAS: 821-09-0 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD00002975 InChI Key: LQAVWYMTUMSFBE-UHFFFAOYSA-N Synonym: 4-penten-1-ol,4-pentenol,4-pentenyl alcohol,2-allylethyl alcohol,unii-w0558tqc6f,4-pentene-1-ol,4-pentenol-1,4-penten-1ol,4penten-1-ol,5-hydroxy-1-pentene PubChem CID: 13181 IUPAC Name: pent-4-en-1-ol SMILES: C=CCCCO
| PubChem CID | 13181 |
|---|---|
| CAS | 821-09-0 |
| Molecular Weight (g/mol) | 86.134 |
| MDL Number | MFCD00002975 |
| SMILES | C=CCCCO |
| Synonym | 4-penten-1-ol,4-pentenol,4-pentenyl alcohol,2-allylethyl alcohol,unii-w0558tqc6f,4-pentene-1-ol,4-pentenol-1,4-penten-1ol,4penten-1-ol,5-hydroxy-1-pentene |
| IUPAC Name | pent-4-en-1-ol |
| InChI Key | LQAVWYMTUMSFBE-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
4-Acetylpyridine, 98%
CAS: 1122-54-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006433 InChI Key: WMQUKDQWMMOHSA-UHFFFAOYSA-N Synonym: 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 PubChem CID: 14282 IUPAC Name: 1-pyridin-4-ylethanone SMILES: CC(=O)C1=CC=NC=C1
| PubChem CID | 14282 |
|---|---|
| CAS | 1122-54-9 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006433 |
| SMILES | CC(=O)C1=CC=NC=C1 |
| Synonym | 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 |
| IUPAC Name | 1-pyridin-4-ylethanone |
| InChI Key | WMQUKDQWMMOHSA-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
2-Ketoglutaric acid, 98%
CAS: 328-50-7 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00004165 InChI Key: KPGXRSRHYNQIFN-UHFFFAOYSA-N Synonym: 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid PubChem CID: 51 ChEBI: CHEBI:30915 IUPAC Name: 2-oxopentanedioic acid SMILES: C(CC(=O)O)C(=O)C(=O)O
| PubChem CID | 51 |
|---|---|
| CAS | 328-50-7 |
| Molecular Weight (g/mol) | 146.098 |
| ChEBI | CHEBI:30915 |
| MDL Number | MFCD00004165 |
| SMILES | C(CC(=O)O)C(=O)C(=O)O |
| Synonym | 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid |
| IUPAC Name | 2-oxopentanedioic acid |
| InChI Key | KPGXRSRHYNQIFN-UHFFFAOYSA-N |
| Molecular Formula | C5H6O5 |
Veratraldehyde, 99%
CAS: 120-14-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00003363 InChI Key: WJUFSDZVCOTFON-UHFFFAOYSA-N Synonym: veratraldehyde,veratric aldehyde,methylvanillin,vanillin methyl ether,veratral,veratryl aldehyde,benzaldehyde, 3,4-dimethoxy,veratrum aldehyde,p-veratric aldehyde,4-o-methylvanillin PubChem CID: 8419 ChEBI: CHEBI:17098 IUPAC Name: 3,4-dimethoxybenzaldehyde SMILES: COC1=CC=C(C=O)C=C1OC
| PubChem CID | 8419 |
|---|---|
| CAS | 120-14-9 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:17098 |
| MDL Number | MFCD00003363 |
| SMILES | COC1=CC=C(C=O)C=C1OC |
| Synonym | veratraldehyde,veratric aldehyde,methylvanillin,vanillin methyl ether,veratral,veratryl aldehyde,benzaldehyde, 3,4-dimethoxy,veratrum aldehyde,p-veratric aldehyde,4-o-methylvanillin |
| IUPAC Name | 3,4-dimethoxybenzaldehyde |
| InChI Key | WJUFSDZVCOTFON-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
3',4'-Dichloroacetophenone, 98+%
CAS: 2642-63-9 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00000553 InChI Key: WBPAOUHWPONFEQ-UHFFFAOYSA-N Synonym: 3',4'-dichloroacetophenone,1-3,4-dichlorophenyl ethanone,3,4-dichloroacetophenone,1-3,4-dichlorophenyl ethan-1-one,ethanone, 1-3,4-dichlorophenyl,acetophenone, 3',4'-dichloro,1-acetyl-3,4-dichlorobenzene,3,4 dichloro acetophenone,pubchem3383,3,4-dicloroacetophenone PubChem CID: 75841 IUPAC Name: 1-(3,4-dichlorophenyl)ethanone SMILES: CC(=O)C1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 75841 |
|---|---|
| CAS | 2642-63-9 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00000553 |
| SMILES | CC(=O)C1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 3',4'-dichloroacetophenone,1-3,4-dichlorophenyl ethanone,3,4-dichloroacetophenone,1-3,4-dichlorophenyl ethan-1-one,ethanone, 1-3,4-dichlorophenyl,acetophenone, 3',4'-dichloro,1-acetyl-3,4-dichlorobenzene,3,4 dichloro acetophenone,pubchem3383,3,4-dicloroacetophenone |
| IUPAC Name | 1-(3,4-dichlorophenyl)ethanone |
| InChI Key | WBPAOUHWPONFEQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
2,3-Dimethoxybenzaldehyde, 98+%
CAS: 86-51-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00003309 InChI Key: JIVGSHFYXPRRSZ-UHFFFAOYSA-N Synonym: o-veratraldehyde,benzaldehyde, 2,3-dimethoxy,unii-8alp3sy00l,2,3-dimethoxy-benzaldehyde,8alp3sy00l,benzaldehyde,3-dimethoxy,dimethoxybenzaldehyde,pubchem8216,benzaldehyde, dimethoxy,upcmld00wstructure66 PubChem CID: 66581 IUPAC Name: 2,3-dimethoxybenzaldehyde SMILES: COC1=CC=CC(=C1OC)C=O
| PubChem CID | 66581 |
|---|---|
| CAS | 86-51-1 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00003309 |
| SMILES | COC1=CC=CC(=C1OC)C=O |
| Synonym | o-veratraldehyde,benzaldehyde, 2,3-dimethoxy,unii-8alp3sy00l,2,3-dimethoxy-benzaldehyde,8alp3sy00l,benzaldehyde,3-dimethoxy,dimethoxybenzaldehyde,pubchem8216,benzaldehyde, dimethoxy,upcmld00wstructure66 |
| IUPAC Name | 2,3-dimethoxybenzaldehyde |
| InChI Key | JIVGSHFYXPRRSZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Bromo-3'-methoxyacetophenone, 98%
CAS: 5000-65-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00000199 InChI Key: IOOHBIFQNQQUFI-UHFFFAOYSA-N Synonym: 2-bromo-1-3-methoxyphenyl ethanone,2-bromo-3'-methoxyacetophenone,m-methoxyphenacyl bromide,3'-methoxyphenacyl bromide,3-bromoacetyl anisole,2-bromo-1-3-methoxyphenyl ethan-1-one,3-methoxyphenacyl bromide,bromomethyl 3-methoxyphenyl ketone,ccris 7998,3-methoxyphenacylbromide PubChem CID: 101294 IUPAC Name: 2-bromo-1-(3-methoxyphenyl)ethanone SMILES: COC1=CC=CC(=C1)C(=O)CBr
| PubChem CID | 101294 |
|---|---|
| CAS | 5000-65-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00000199 |
| SMILES | COC1=CC=CC(=C1)C(=O)CBr |
| Synonym | 2-bromo-1-3-methoxyphenyl ethanone,2-bromo-3'-methoxyacetophenone,m-methoxyphenacyl bromide,3'-methoxyphenacyl bromide,3-bromoacetyl anisole,2-bromo-1-3-methoxyphenyl ethan-1-one,3-methoxyphenacyl bromide,bromomethyl 3-methoxyphenyl ketone,ccris 7998,3-methoxyphenacylbromide |
| IUPAC Name | 2-bromo-1-(3-methoxyphenyl)ethanone |
| InChI Key | IOOHBIFQNQQUFI-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |