Organooxygen compounds
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3,5-Dimethyl-4-isoxazolecarbaldehyde, Thermo Scientific™
CAS: 54593-26-9 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 InChI Key: TVAYXKLCEILMEA-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde PubChem CID: 289576 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carbaldehyde SMILES: CC1=C(C(=NO1)C)C=O
| PubChem CID | 289576 |
|---|---|
| CAS | 54593-26-9 |
| Molecular Weight (g/mol) | 125.127 |
| SMILES | CC1=C(C(=NO1)C)C=O |
| Synonym | 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde |
| IUPAC Name | 3,5-dimethyl-1,2-oxazole-4-carbaldehyde |
| InChI Key | TVAYXKLCEILMEA-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
4,4-Dimethylcyclohexan-1-ol, 95%, Thermo Scientific™
CAS: 932-01-4 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00101954 InChI Key: VUQOIZPFYIVUKD-UHFFFAOYSA-N PubChem CID: 136735 IUPAC Name: 4,4-dimethylcyclohexan-1-ol SMILES: CC1(C)CCC(O)CC1
| PubChem CID | 136735 |
|---|---|
| CAS | 932-01-4 |
| Molecular Weight (g/mol) | 128.22 |
| MDL Number | MFCD00101954 |
| SMILES | CC1(C)CCC(O)CC1 |
| IUPAC Name | 4,4-dimethylcyclohexan-1-ol |
| InChI Key | VUQOIZPFYIVUKD-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
18-Crown-6 Ether, 97+ Percent, Spectrum™ Chemical
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CAS: 17455-13-9
| CAS | 17455-13-9 |
|---|
p-Toluoylacetonitrile, 97%
CAS: 7391-28-8 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00067895 InChI Key: AIECDYDQPCANJK-UHFFFAOYSA-N Synonym: 4-methylbenzoylacetonitrile,4-toluoylacetonitrile,3-4-methylphenyl-3-oxopropanenitrile,p-toluoylacetonitrile,3-oxo-3-p-tolyl propanenitrile,3-oxo-3-p-tolylpropanenitrile,acmc-20amdj,pubchem12072,maybridge1_004714,4-methyl-benzoylacetonitrile PubChem CID: 522513 IUPAC Name: 3-(4-methylphenyl)-3-oxopropanenitrile SMILES: CC1=CC=C(C=C1)C(=O)CC#N
| PubChem CID | 522513 |
|---|---|
| CAS | 7391-28-8 |
| Molecular Weight (g/mol) | 159.19 |
| MDL Number | MFCD00067895 |
| SMILES | CC1=CC=C(C=C1)C(=O)CC#N |
| Synonym | 4-methylbenzoylacetonitrile,4-toluoylacetonitrile,3-4-methylphenyl-3-oxopropanenitrile,p-toluoylacetonitrile,3-oxo-3-p-tolyl propanenitrile,3-oxo-3-p-tolylpropanenitrile,acmc-20amdj,pubchem12072,maybridge1_004714,4-methyl-benzoylacetonitrile |
| IUPAC Name | 3-(4-methylphenyl)-3-oxopropanenitrile |
| InChI Key | AIECDYDQPCANJK-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
1,2,4-Butanetriol, 96%, Thermo Scientific Chemicals
CAS: 3068-00-6 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.121 MDL Number: MFCD00002929 InChI Key: ARXKVVRQIIOZGF-UHFFFAOYSA-N Synonym: 1,2,4-butanetriol,2-deoxyerythritol,1,3,4-butanetriol,triol 124,1,2,4-trihydroxybutane,1,2,4-butantriol,1,2,4-butantriol german,+/--1,2,4-butanetriol,2-deoxyerthritol,dialkylenethiourea PubChem CID: 18302 IUPAC Name: butane-1,2,4-triol SMILES: C(CO)C(CO)O
| PubChem CID | 18302 |
|---|---|
| CAS | 3068-00-6 |
| Molecular Weight (g/mol) | 106.121 |
| MDL Number | MFCD00002929 |
| SMILES | C(CO)C(CO)O |
| Synonym | 1,2,4-butanetriol,2-deoxyerythritol,1,3,4-butanetriol,triol 124,1,2,4-trihydroxybutane,1,2,4-butantriol,1,2,4-butantriol german,+/--1,2,4-butanetriol,2-deoxyerthritol,dialkylenethiourea |
| IUPAC Name | butane-1,2,4-triol |
| InChI Key | ARXKVVRQIIOZGF-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3 |
3-Methyl-1-butanol, 98%, pure, mixture of Isomers
CAS: 123-51-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002934 InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N Synonym: 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol PubChem CID: 31260 ChEBI: CHEBI:15837 IUPAC Name: 3-methylbutan-1-ol SMILES: CC(C)CCO
| PubChem CID | 31260 |
|---|---|
| CAS | 123-51-3 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:15837 |
| MDL Number | MFCD00002934 |
| SMILES | CC(C)CCO |
| Synonym | 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol |
| IUPAC Name | 3-methylbutan-1-ol |
| InChI Key | PHTQWCKDNZKARW-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
6-Bromopyridine-2-carboxaldehyde, 97%
CAS: 34160-40-2 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.008 MDL Number: MFCD02683546 InChI Key: QWFHFNGMCPMOCD-UHFFFAOYSA-N Synonym: 6-bromo-2-pyridinecarboxaldehyde,6-bromopicolinaldehyde,6-bromo-2-formylpyridine,6-bromopyridine-2-carboxaldehyde,2-bromo-6-formylpyridine,6-bromo-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-bromo,2-bromopyridine-6-carboxaldehyde,6-bromo-2-pyridine carboxaldehyde,6-bromopicolylaldehyde PubChem CID: 2757009 IUPAC Name: 6-bromopyridine-2-carbaldehyde SMILES: C1=CC(=NC(=C1)Br)C=O
| PubChem CID | 2757009 |
|---|---|
| CAS | 34160-40-2 |
| Molecular Weight (g/mol) | 186.008 |
| MDL Number | MFCD02683546 |
| SMILES | C1=CC(=NC(=C1)Br)C=O |
| Synonym | 6-bromo-2-pyridinecarboxaldehyde,6-bromopicolinaldehyde,6-bromo-2-formylpyridine,6-bromopyridine-2-carboxaldehyde,2-bromo-6-formylpyridine,6-bromo-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-bromo,2-bromopyridine-6-carboxaldehyde,6-bromo-2-pyridine carboxaldehyde,6-bromopicolylaldehyde |
| IUPAC Name | 6-bromopyridine-2-carbaldehyde |
| InChI Key | QWFHFNGMCPMOCD-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
2-Cyclopropylethanol, 96%
CAS: 2566-44-1 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00040762 InChI Key: LUNMJRJMSXZSLC-UHFFFAOYSA-N Synonym: cyclopropaneethanol,2-cyclopropylethan-1-ol,2-cyclopropyl-ethanol,2-hydroxyethyl cyclopropane,cyclopropaneethanol∼ 2-hydroxyethyl cyclopropane,2-cyclopropyl ethanol,2-cyclopropane ethanol,acmc-1cgpb,cyclopropylmethyl carbinol,intermediates-zcf02687 PubChem CID: 137642 SMILES: OCCC1CC1
| PubChem CID | 137642 |
|---|---|
| CAS | 2566-44-1 |
| Molecular Weight (g/mol) | 86.13 |
| MDL Number | MFCD00040762 |
| SMILES | OCCC1CC1 |
| Synonym | cyclopropaneethanol,2-cyclopropylethan-1-ol,2-cyclopropyl-ethanol,2-hydroxyethyl cyclopropane,cyclopropaneethanol∼ 2-hydroxyethyl cyclopropane,2-cyclopropyl ethanol,2-cyclopropane ethanol,acmc-1cgpb,cyclopropylmethyl carbinol,intermediates-zcf02687 |
| InChI Key | LUNMJRJMSXZSLC-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone, 90+%, Thermo Scientific™
CAS: 54223-20-0 Molecular Formula: C9H6BrNOS Molecular Weight (g/mol): 256.12 MDL Number: MFCD03659698 InChI Key: AYWGYNKWZWBMSV-UHFFFAOYSA-N Synonym: 1-1,3-benzothiazol-2-yl-2-bromo-1-ethanone,1-benzo d thiazol-2-yl-2-bromoethanone,1-1,3-benzothiazol-2-yl-2-bromoethanone,2-bromoacetyl benzothiazole,1-benzothiazol-2-yl-2-bromoethanone,1-benzothiazol-2-yl-2-bromo-ethanone,1-1,3-benzothiazol-2-yl-2-bromoethan-1-one,pubchem23327,2-bromoacetyl-1,3-benzothiazole PubChem CID: 2776256 SMILES: BrCC(=O)C1=NC2=CC=CC=C2S1
| PubChem CID | 2776256 |
|---|---|
| CAS | 54223-20-0 |
| Molecular Weight (g/mol) | 256.12 |
| MDL Number | MFCD03659698 |
| SMILES | BrCC(=O)C1=NC2=CC=CC=C2S1 |
| Synonym | 1-1,3-benzothiazol-2-yl-2-bromo-1-ethanone,1-benzo d thiazol-2-yl-2-bromoethanone,1-1,3-benzothiazol-2-yl-2-bromoethanone,2-bromoacetyl benzothiazole,1-benzothiazol-2-yl-2-bromoethanone,1-benzothiazol-2-yl-2-bromo-ethanone,1-1,3-benzothiazol-2-yl-2-bromoethan-1-one,pubchem23327,2-bromoacetyl-1,3-benzothiazole |
| InChI Key | AYWGYNKWZWBMSV-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNOS |
3-Hepten-2-one, 95%
CAS: 1119-44-4 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00015564 InChI Key: JHHZQADGLDKIPM-AATRIKPKSA-N Synonym: 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one PubChem CID: 5364578 SMILES: CCC\C=C\C(C)=O
| PubChem CID | 5364578 |
|---|---|
| CAS | 1119-44-4 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD00015564 |
| SMILES | CCC\C=C\C(C)=O |
| Synonym | 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one |
| InChI Key | JHHZQADGLDKIPM-AATRIKPKSA-N |
| Molecular Formula | C7H12O |
2,4,6-Trimethyl-1,6-heptadien-4-ol, 98%
CAS: 79604-66-3 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00026060 InChI Key: METKJWMTLIYYIQ-UHFFFAOYSA-N Synonym: 2,4,6-trimethyl-1,6-heptadien-4-ol,diisobutenyl methyl carbinol PubChem CID: 144898 IUPAC Name: 2,4,6-trimethylhepta-1,6-dien-4-ol SMILES: CC(=C)CC(C)(CC(=C)C)O
| PubChem CID | 144898 |
|---|---|
| CAS | 79604-66-3 |
| Molecular Weight (g/mol) | 154.253 |
| MDL Number | MFCD00026060 |
| SMILES | CC(=C)CC(C)(CC(=C)C)O |
| Synonym | 2,4,6-trimethyl-1,6-heptadien-4-ol,diisobutenyl methyl carbinol |
| IUPAC Name | 2,4,6-trimethylhepta-1,6-dien-4-ol |
| InChI Key | METKJWMTLIYYIQ-UHFFFAOYSA-N |
| Molecular Formula | C10H18O |
4'-Bromo-2'-hydroxyacetophenone, 95%
CAS: 30186-18-6 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD03428533 InChI Key: LQCMMXGKEGWUIM-UHFFFAOYSA-N Synonym: 1-4-bromo-2-hydroxyphenyl ethanone,4'-bromo-2'-hydroxyacetophenone,4-bromo-2-hydroxyacetophenone,1-4-bromo-2-hydroxyphenyl ethan-1-one,acetophenone,2-hydroxy-4-bromo,ethanone, 1-4-bromo-2-hydroxyphenyl,2-acetyl-5-bromophenol,1-4-bromo-2-hydroxy-phenyl ethanone,1-4-bromo-2-hydroxy-phenyl-ethanone PubChem CID: 10727403 IUPAC Name: 1-(4-bromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(Br)C=C1
| PubChem CID | 10727403 |
|---|---|
| CAS | 30186-18-6 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD03428533 |
| SMILES | CC(=O)C1=C(O)C=C(Br)C=C1 |
| Synonym | 1-4-bromo-2-hydroxyphenyl ethanone,4'-bromo-2'-hydroxyacetophenone,4-bromo-2-hydroxyacetophenone,1-4-bromo-2-hydroxyphenyl ethan-1-one,acetophenone,2-hydroxy-4-bromo,ethanone, 1-4-bromo-2-hydroxyphenyl,2-acetyl-5-bromophenol,1-4-bromo-2-hydroxy-phenyl ethanone,1-4-bromo-2-hydroxy-phenyl-ethanone |
| IUPAC Name | 1-(4-bromo-2-hydroxyphenyl)ethanone |
| InChI Key | LQCMMXGKEGWUIM-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
Methyl malonyl chloride, 97%
CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.53 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl
| PubChem CID | 123460 |
|---|---|
| CAS | 37517-81-0 |
| Molecular Weight (g/mol) | 136.53 |
| MDL Number | MFCD00013657 |
| SMILES | COC(=O)CC(=O)Cl |
| IUPAC Name | methyl 3-chloro-3-oxopropanoate |
| InChI Key | UTBCRHAMJFMIIR-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClO3 |
4'-Methylbiphenyl-4-carboxaldehyde, 96%
CAS: 36393-42-7 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.249 MDL Number: MFCD02258938 InChI Key: BCINBWXQYBLSKO-UHFFFAOYSA-N Synonym: 4-4-methylphenyl benzaldehyde,4'-methyl-1,1'-biphenyl-4-carbaldehyde,4'-methylbiphenyl-4-carbaldehyde,4'-methyl-4-formylbiphenyl,1,1'-biphenyl-4-carboxaldehyde, 4'-methyl,4'-methyl-biphenyl-4-carbaldehyde,4'-methylbiphenyl-4-carboxaldehyde,4'-methyl-biphenyl-4-carboxaldehyde,4'-methyl 1,1'-biphenyl-4-carbaldehyde,pubchem10296 PubChem CID: 1392762 IUPAC Name: 4-(4-methylphenyl)benzaldehyde SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)C=O
| PubChem CID | 1392762 |
|---|---|
| CAS | 36393-42-7 |
| Molecular Weight (g/mol) | 196.249 |
| MDL Number | MFCD02258938 |
| SMILES | CC1=CC=C(C=C1)C2=CC=C(C=C2)C=O |
| Synonym | 4-4-methylphenyl benzaldehyde,4'-methyl-1,1'-biphenyl-4-carbaldehyde,4'-methylbiphenyl-4-carbaldehyde,4'-methyl-4-formylbiphenyl,1,1'-biphenyl-4-carboxaldehyde, 4'-methyl,4'-methyl-biphenyl-4-carbaldehyde,4'-methylbiphenyl-4-carboxaldehyde,4'-methyl-biphenyl-4-carboxaldehyde,4'-methyl 1,1'-biphenyl-4-carbaldehyde,pubchem10296 |
| IUPAC Name | 4-(4-methylphenyl)benzaldehyde |
| InChI Key | BCINBWXQYBLSKO-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
Ethyl 2-chloroacetoacetate, 96%
CAS: 609-15-4 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.59 MDL Number: MFCD00009141 InChI Key: RDULEYWUGKOCMR-UHFFFAOYNA-N PubChem CID: 11858 IUPAC Name: ethyl 2-chloro-3-oxobutanoate SMILES: CCOC(=O)C(Cl)C(C)=O
| PubChem CID | 11858 |
|---|---|
| CAS | 609-15-4 |
| Molecular Weight (g/mol) | 164.59 |
| MDL Number | MFCD00009141 |
| SMILES | CCOC(=O)C(Cl)C(C)=O |
| IUPAC Name | ethyl 2-chloro-3-oxobutanoate |
| InChI Key | RDULEYWUGKOCMR-UHFFFAOYNA-N |
| Molecular Formula | C6H9ClO3 |