Organooxygen compounds
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N1-(4-acetyl-3-hydroxyphenyl)acetamide, Thermo Scientific™
CAS: 40547-58-8 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 InChI Key: ZSSHNMZQDWSUJJ-UHFFFAOYSA-N Synonym: n-4-acetyl-3-hydroxyphenyl acetamide,n1-4-acetyl-3-hydroxyphenyl acetamide,4'-acetamido-2'-hydroxyacetophenone,acetamide, n-4-acetyl-3-hydroxyphenyl,4-acetamido-2-hydroxyacetophenone,n-4-acetyl-3-hydroxy-phenyl acetamide,n-4-acetyl-3-hydroxy-phenyl-acetamide PubChem CID: 2775185 IUPAC Name: N-(4-acetyl-3-hydroxyphenyl)acetamide SMILES: CC(=O)C1=C(C=C(C=C1)NC(=O)C)O
| PubChem CID | 2775185 |
|---|---|
| CAS | 40547-58-8 |
| Molecular Weight (g/mol) | 193.202 |
| SMILES | CC(=O)C1=C(C=C(C=C1)NC(=O)C)O |
| Synonym | n-4-acetyl-3-hydroxyphenyl acetamide,n1-4-acetyl-3-hydroxyphenyl acetamide,4'-acetamido-2'-hydroxyacetophenone,acetamide, n-4-acetyl-3-hydroxyphenyl,4-acetamido-2-hydroxyacetophenone,n-4-acetyl-3-hydroxy-phenyl acetamide,n-4-acetyl-3-hydroxy-phenyl-acetamide |
| IUPAC Name | N-(4-acetyl-3-hydroxyphenyl)acetamide |
| InChI Key | ZSSHNMZQDWSUJJ-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
5'-Bromo-2'-hydroxy-3'-nitroacetophenone, 97%
CAS: 70978-54-0 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.04 MDL Number: MFCD01631134 InChI Key: CLNIBJASCGZXHH-UHFFFAOYSA-N PubChem CID: 689071 IUPAC Name: 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC(Br)=CC(=C1O)[N+]([O-])=O
| PubChem CID | 689071 |
|---|---|
| CAS | 70978-54-0 |
| Molecular Weight (g/mol) | 260.04 |
| MDL Number | MFCD01631134 |
| SMILES | CC(=O)C1=CC(Br)=CC(=C1O)[N+]([O-])=O |
| IUPAC Name | 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethan-1-one |
| InChI Key | CLNIBJASCGZXHH-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO4 |
3-Acetylbenzeneboronic acid, 97%
CAS: 204841-19-0 Molecular Formula: C8H9BO3 Molecular Weight (g/mol): 163.967 MDL Number: MFCD01074678 InChI Key: SJGGDZCTGBKBCK-UHFFFAOYSA-N Synonym: 3-acetylphenyl boronic acid,3-acetylbenzeneboronic acid,3-acetylphenylboronicacid,m-acetylphenylboronic acid,3'-boronoacetophenone,boronic acid, 3-acetylphenyl,1-3-dihydroxyboranyl phenyl ethan-1-one,pubchem2751,acmc-209faq,3-acetylphenyboronic acid PubChem CID: 2734310 ChEBI: CHEBI:86552 IUPAC Name: (3-acetylphenyl)boronic acid SMILES: B(C1=CC(=CC=C1)C(=O)C)(O)O
| PubChem CID | 2734310 |
|---|---|
| CAS | 204841-19-0 |
| Molecular Weight (g/mol) | 163.967 |
| ChEBI | CHEBI:86552 |
| MDL Number | MFCD01074678 |
| SMILES | B(C1=CC(=CC=C1)C(=O)C)(O)O |
| Synonym | 3-acetylphenyl boronic acid,3-acetylbenzeneboronic acid,3-acetylphenylboronicacid,m-acetylphenylboronic acid,3'-boronoacetophenone,boronic acid, 3-acetylphenyl,1-3-dihydroxyboranyl phenyl ethan-1-one,pubchem2751,acmc-209faq,3-acetylphenyboronic acid |
| IUPAC Name | (3-acetylphenyl)boronic acid |
| InChI Key | SJGGDZCTGBKBCK-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO3 |
3-(2-Methoxy-3-pyridyl)acrylic acid, 95%
CAS: 131674-41-4 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD07781156 InChI Key: MTVRDAQJMCORAQ-SNAWJCMRSA-N Synonym: 3-2-methoxy-3-pyridyl acrylic acid,e-3-2-methoxypyridin-3-yl acrylic acid,3-2-methoxypyridin-3-yl acrylic acid,2e-3-2-methoxypyridin-3-yl prop-2-enoic acid,2e-3-2-methoxy 3-pyridyl prop-2-enoic acid PubChem CID: 14691926 IUPAC Name: (E)-3-(2-methoxypyridin-3-yl)prop-2-enoic acid SMILES: COC1=C(C=CC=N1)C=CC(=O)O
| PubChem CID | 14691926 |
|---|---|
| CAS | 131674-41-4 |
| Molecular Weight (g/mol) | 179.175 |
| MDL Number | MFCD07781156 |
| SMILES | COC1=C(C=CC=N1)C=CC(=O)O |
| Synonym | 3-2-methoxy-3-pyridyl acrylic acid,e-3-2-methoxypyridin-3-yl acrylic acid,3-2-methoxypyridin-3-yl acrylic acid,2e-3-2-methoxypyridin-3-yl prop-2-enoic acid,2e-3-2-methoxy 3-pyridyl prop-2-enoic acid |
| IUPAC Name | (E)-3-(2-methoxypyridin-3-yl)prop-2-enoic acid |
| InChI Key | MTVRDAQJMCORAQ-SNAWJCMRSA-N |
| Molecular Formula | C9H9NO3 |
2-Methylbutyraldehyde, 95%
CAS: 96-17-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00006984 InChI Key: BYGQBDHUGHBGMD-UHFFFAOYNA-N Synonym: 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal PubChem CID: 7284 ChEBI: CHEBI:16182 IUPAC Name: 2-methylbutanal SMILES: CCC(C)C=O
| PubChem CID | 7284 |
|---|---|
| CAS | 96-17-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16182 |
| MDL Number | MFCD00006984 |
| SMILES | CCC(C)C=O |
| Synonym | 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal |
| IUPAC Name | 2-methylbutanal |
| InChI Key | BYGQBDHUGHBGMD-UHFFFAOYNA-N |
| Molecular Formula | C5H10O |
2',5'-Dihydroxyacetophenone, 97%
CAS: 490-78-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002343 InChI Key: WLDWSGZHNBANIO-UHFFFAOYSA-N Synonym: 2',5'-dihydroxyacetophenone,1-2,5-dihydroxyphenyl ethanone,2-acetylhydroquinone,2,5-dihydroxyacetophenone,quinacetophenone,acetylhydroquinone,ethanone, 1-2,5-dihydroxyphenyl,1-2,5-dihydroxyphenyl ethan-1-one,acetylquinol,acetophenone, 2',5'-dihydroxy PubChem CID: 10279 IUPAC Name: 1-(2,5-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)O)O
| PubChem CID | 10279 |
|---|---|
| CAS | 490-78-8 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00002343 |
| SMILES | CC(=O)C1=C(C=CC(=C1)O)O |
| Synonym | 2',5'-dihydroxyacetophenone,1-2,5-dihydroxyphenyl ethanone,2-acetylhydroquinone,2,5-dihydroxyacetophenone,quinacetophenone,acetylhydroquinone,ethanone, 1-2,5-dihydroxyphenyl,1-2,5-dihydroxyphenyl ethan-1-one,acetylquinol,acetophenone, 2',5'-dihydroxy |
| IUPAC Name | 1-(2,5-dihydroxyphenyl)ethanone |
| InChI Key | WLDWSGZHNBANIO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
1-Phenyl-1,2-ethanediol, 97%
CAS: 93-56-1 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00003546 InChI Key: PWMWNFMRSKOCEY-UHFFFAOYSA-N Synonym: 1-phenyl-1,2-ethanediol,styrene glycol,phenylethylene glycol,phenylethanediol,phenyl glycol,1,2-ethanediol, 1-phenyl,phenyl-1,2-ethanediol,styrolyl alcohol,fenylglycol,1-phenylethylene glycol PubChem CID: 7149 IUPAC Name: 1-phenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(CO)O
| PubChem CID | 7149 |
|---|---|
| CAS | 93-56-1 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00003546 |
| SMILES | C1=CC=C(C=C1)C(CO)O |
| Synonym | 1-phenyl-1,2-ethanediol,styrene glycol,phenylethylene glycol,phenylethanediol,phenyl glycol,1,2-ethanediol, 1-phenyl,phenyl-1,2-ethanediol,styrolyl alcohol,fenylglycol,1-phenylethylene glycol |
| IUPAC Name | 1-phenylethane-1,2-diol |
| InChI Key | PWMWNFMRSKOCEY-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
2-Bromo-1-[5-(2-pyridinyl)-2-thienyl]-1-ethanone, 90%, Thermo Scientific™
CAS: 306935-06-8 Molecular Formula: C11H8BrNOS Molecular Weight (g/mol): 282.155 MDL Number: MFCD02677697 InChI Key: MJDNWZQQRFCXRU-UHFFFAOYSA-N Synonym: 2-bromo-1-5-2-pyridinyl-2-thienyl-1-ethanone,2-bromo-1-5-pyridin-2-yl thiophen-2-yl ethanone,2-bromo-1-5-pyridin-2-ylthien-2-yl ethan-1-one,2-bromo-1-5-pyridin-2-yl-thiophen-2-yl-ethanone,2-bromo-1-5-pyridin-2-yl-2-thienyl ethanone,2-bromo-1-5-pyridin-2-ylthiophen-2-yl ethanone,2-bromanyl-1-5-pyridin-2-ylthiophen-2-yl ethanone,ethanone, 2-bromo-1-5-2-pyridinyl-2-thienyl,2-bromo-1-5-pyridin-2-yl thiophen-2-yl ethan-1-one PubChem CID: 2776201 IUPAC Name: 2-bromo-1-(5-pyridin-2-ylthiophen-2-yl)ethanone SMILES: C1=CC=NC(=C1)C2=CC=C(S2)C(=O)CBr
| PubChem CID | 2776201 |
|---|---|
| CAS | 306935-06-8 |
| Molecular Weight (g/mol) | 282.155 |
| MDL Number | MFCD02677697 |
| SMILES | C1=CC=NC(=C1)C2=CC=C(S2)C(=O)CBr |
| Synonym | 2-bromo-1-5-2-pyridinyl-2-thienyl-1-ethanone,2-bromo-1-5-pyridin-2-yl thiophen-2-yl ethanone,2-bromo-1-5-pyridin-2-ylthien-2-yl ethan-1-one,2-bromo-1-5-pyridin-2-yl-thiophen-2-yl-ethanone,2-bromo-1-5-pyridin-2-yl-2-thienyl ethanone,2-bromo-1-5-pyridin-2-ylthiophen-2-yl ethanone,2-bromanyl-1-5-pyridin-2-ylthiophen-2-yl ethanone,ethanone, 2-bromo-1-5-2-pyridinyl-2-thienyl,2-bromo-1-5-pyridin-2-yl thiophen-2-yl ethan-1-one |
| IUPAC Name | 2-bromo-1-(5-pyridin-2-ylthiophen-2-yl)ethanone |
| InChI Key | MJDNWZQQRFCXRU-UHFFFAOYSA-N |
| Molecular Formula | C11H8BrNOS |
Cyclopentanemethanol, 98%, Thermo Scientific™
CAS: 3637-61-4 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.16 MDL Number: MFCD00001384 InChI Key: ISQVBYGGNVVVHB-UHFFFAOYSA-N Synonym: cyclopentanemethanol,cyclopentyl-methanol,cyclopentylcarbinol,cyclopentylmethyl alcohol,cyclopentanmethanol,cylcopentanemethanol,cyclopentan-methanol,cyclopentyl methanol,cyclopentyl carbinol,cyclo-pentanemethanol PubChem CID: 77195 IUPAC Name: cyclopentylmethanol SMILES: C1CCC(C1)CO
| PubChem CID | 77195 |
|---|---|
| CAS | 3637-61-4 |
| Molecular Weight (g/mol) | 100.16 |
| MDL Number | MFCD00001384 |
| SMILES | C1CCC(C1)CO |
| Synonym | cyclopentanemethanol,cyclopentyl-methanol,cyclopentylcarbinol,cyclopentylmethyl alcohol,cyclopentanmethanol,cylcopentanemethanol,cyclopentan-methanol,cyclopentyl methanol,cyclopentyl carbinol,cyclo-pentanemethanol |
| IUPAC Name | cyclopentylmethanol |
| InChI Key | ISQVBYGGNVVVHB-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
2-Bromoethyl methyl ether, 96%, stab. with sodium carbonate
CAS: 6482-24-2 Molecular Formula: C3H7BrO Molecular Weight (g/mol): 138.992 MDL Number: MFCD00000236 InChI Key: YZUPZGFPHUVJKC-UHFFFAOYSA-N Synonym: 2-bromoethyl methyl ether,2-methoxyethyl bromide,ethane, 1-bromo-2-methoxy,ether, 2-bromoethyl methyl,methoxyethyl bromide,2-bromoethylmethylether,bromoethyl methyl ether,2-bromoethylmethyl ether,2-bromoethylmethyl-ether,2-bromo-1-methoxyethane PubChem CID: 80972 IUPAC Name: 1-bromo-2-methoxyethane SMILES: COCCBr
| PubChem CID | 80972 |
|---|---|
| CAS | 6482-24-2 |
| Molecular Weight (g/mol) | 138.992 |
| MDL Number | MFCD00000236 |
| SMILES | COCCBr |
| Synonym | 2-bromoethyl methyl ether,2-methoxyethyl bromide,ethane, 1-bromo-2-methoxy,ether, 2-bromoethyl methyl,methoxyethyl bromide,2-bromoethylmethylether,bromoethyl methyl ether,2-bromoethylmethyl ether,2-bromoethylmethyl-ether,2-bromo-1-methoxyethane |
| IUPAC Name | 1-bromo-2-methoxyethane |
| InChI Key | YZUPZGFPHUVJKC-UHFFFAOYSA-N |
| Molecular Formula | C3H7BrO |
2,4,6-Tribromo-3-hydroxybenzaldehyde, 98%, Thermo Scientific Chemicals
CAS: 2737-22-6 Molecular Formula: C7H3Br3O2 Molecular Weight (g/mol): 358.81 MDL Number: MFCD00017320 InChI Key: FAWOIFAFFUDNJX-UHFFFAOYSA-N Synonym: 3-hydroxy-2,4,6-tribromobenzaldehyde,benzaldehyde, 3-hydroxy-2,4,6-tribromo,benzaldehyde,2,4,6-tribromo-3-hydroxy,acmc-1cj0g,3-08-00-00209 beilstein handbook reference,2,4,6-tris bromanyl-3-oxidanyl-benzaldehyde PubChem CID: 200803 IUPAC Name: 2,4,6-tribromo-3-hydroxybenzaldehyde SMILES: OC1=C(Br)C=C(Br)C(C=O)=C1Br
| PubChem CID | 200803 |
|---|---|
| CAS | 2737-22-6 |
| Molecular Weight (g/mol) | 358.81 |
| MDL Number | MFCD00017320 |
| SMILES | OC1=C(Br)C=C(Br)C(C=O)=C1Br |
| Synonym | 3-hydroxy-2,4,6-tribromobenzaldehyde,benzaldehyde, 3-hydroxy-2,4,6-tribromo,benzaldehyde,2,4,6-tribromo-3-hydroxy,acmc-1cj0g,3-08-00-00209 beilstein handbook reference,2,4,6-tris bromanyl-3-oxidanyl-benzaldehyde |
| IUPAC Name | 2,4,6-tribromo-3-hydroxybenzaldehyde |
| InChI Key | FAWOIFAFFUDNJX-UHFFFAOYSA-N |
| Molecular Formula | C7H3Br3O2 |
| CAS | 5223-06-3 |
|---|---|
| MDL Number | MFCD00129040 |
3-(3-Methylphenyl)-3-oxopropanenitrile, 97%, Thermo Scientific™
CAS: 53882-81-8 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00067922 InChI Key: IVLKDYOTZMFMLO-UHFFFAOYSA-N Synonym: 3-methylbenzoylacetonitrile,3-3-methylphenyl-3-oxopropanenitrile,3-toluoylacetonitrile,m-toluoylacetonitrile,3-oxo-3-m-tolyl propanenitrile,3-oxo-3-m-tolylpropanenitrile,pubchem12073,maybridge1_004502,acmc-1alb6,3-m-tolyl-3-oxo-propanenitrile PubChem CID: 143105 IUPAC Name: 3-(3-methylphenyl)-3-oxopropanenitrile SMILES: CC1=CC=CC(=C1)C(=O)CC#N
| PubChem CID | 143105 |
|---|---|
| CAS | 53882-81-8 |
| Molecular Weight (g/mol) | 159.188 |
| MDL Number | MFCD00067922 |
| SMILES | CC1=CC=CC(=C1)C(=O)CC#N |
| Synonym | 3-methylbenzoylacetonitrile,3-3-methylphenyl-3-oxopropanenitrile,3-toluoylacetonitrile,m-toluoylacetonitrile,3-oxo-3-m-tolyl propanenitrile,3-oxo-3-m-tolylpropanenitrile,pubchem12073,maybridge1_004502,acmc-1alb6,3-m-tolyl-3-oxo-propanenitrile |
| IUPAC Name | 3-(3-methylphenyl)-3-oxopropanenitrile |
| InChI Key | IVLKDYOTZMFMLO-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
4-Phenyl-3-butyn-2-one, 98%
CAS: 1817-57-8 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 InChI Key: UPEUQDJSUFHFQP-UHFFFAOYSA-N Synonym: 4-phenyl-3-butyn-2-one,3-butyn-2-one, 4-phenyl,1-phenyl-1-butyn-3-one,phenylbutynone,acetylphenyl-acetylene,acmc-1boyr,4-phenyl-3-butyn-2-on,4-phenyl-3-batyu-2-one,4-phenyl-3-butyn-2-0ne,4-phenyl-but-3-yn-2-one PubChem CID: 74555 ChEBI: CHEBI:51731 IUPAC Name: 4-phenylbut-3-yn-2-one SMILES: CC(=O)C#CC1=CC=CC=C1
| PubChem CID | 74555 |
|---|---|
| CAS | 1817-57-8 |
| Molecular Weight (g/mol) | 144.17 |
| ChEBI | CHEBI:51731 |
| SMILES | CC(=O)C#CC1=CC=CC=C1 |
| Synonym | 4-phenyl-3-butyn-2-one,3-butyn-2-one, 4-phenyl,1-phenyl-1-butyn-3-one,phenylbutynone,acetylphenyl-acetylene,acmc-1boyr,4-phenyl-3-butyn-2-on,4-phenyl-3-batyu-2-one,4-phenyl-3-butyn-2-0ne,4-phenyl-but-3-yn-2-one |
| IUPAC Name | 4-phenylbut-3-yn-2-one |
| InChI Key | UPEUQDJSUFHFQP-UHFFFAOYSA-N |
| Molecular Formula | C10H8O |
2,3-Naphthalenedicarboxaldehyde, 95%
CAS: 7149-49-7 Molecular Formula: C12H8O2 Molecular Weight (g/mol): 184.19 InChI Key: ZIPLKLQPLOWLTM-UHFFFAOYSA-N Synonym: 2,3-naphthalenedicarboxaldehyde,2,3-naphthalenedialdehyde,naphthalene-2,3-dicarboxaldehyde,2,3-naphthalenedicarbaldehyde,naphthalene-2,3-dialdehyde,2,3-nda,2,3-diformylnaphthalene,2,3-naphthalene dicarboxaldehyde,nnaphthalene-2,3-dicarboxaldehyde,naphthalene-2,3-dicarboxaldehyde nda PubChem CID: 96400 IUPAC Name: naphthalene-2,3-dicarbaldehyde SMILES: C1=CC=C2C=C(C(=CC2=C1)C=O)C=O
| PubChem CID | 96400 |
|---|---|
| CAS | 7149-49-7 |
| Molecular Weight (g/mol) | 184.19 |
| SMILES | C1=CC=C2C=C(C(=CC2=C1)C=O)C=O |
| Synonym | 2,3-naphthalenedicarboxaldehyde,2,3-naphthalenedialdehyde,naphthalene-2,3-dicarboxaldehyde,2,3-naphthalenedicarbaldehyde,naphthalene-2,3-dialdehyde,2,3-nda,2,3-diformylnaphthalene,2,3-naphthalene dicarboxaldehyde,nnaphthalene-2,3-dicarboxaldehyde,naphthalene-2,3-dicarboxaldehyde nda |
| IUPAC Name | naphthalene-2,3-dicarbaldehyde |
| InChI Key | ZIPLKLQPLOWLTM-UHFFFAOYSA-N |
| Molecular Formula | C12H8O2 |