Introduction：Basic information about CAS 137109-71-8|3-(2-acetyl-3-oxobut-1-enyl)benzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(2-acetyl-3-oxobut-1-enyl)benzonitrile |
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| CAS Number | 137109-71-8 | Molecular Weight | 213.23200 |
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| Density | 1.14g/cm3 | Boiling Point | 430.3ºC at 760mmHg |
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| Molecular Formula | C13H11NO2 | Melting Point | / |
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| MSDS | / | Flash Point | 214ºC |
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Names
| Name | 3-(2-acetyl-3-oxobut-1-enyl)benzonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.14g/cm3 |
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| Boiling Point | 430.3ºC at 760mmHg |
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| Molecular Formula | C13H11NO2 |
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| Molecular Weight | 213.23200 |
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| Flash Point | 214ºC |
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| Exact Mass | 213.07900 |
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| PSA | 57.93000 |
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| LogP | 2.11968 |
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| Vapour Pressure | 1.31E-07mmHg at 25°C |
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| Index of Refraction | 1.548 |
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| InChIKey | WXGVASWIUBFCHW-UHFFFAOYSA-N |
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| SMILES | CC(=O)C(=Cc1cccc(C#N)c1)C(C)=O |
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Synonyms
| Balazipone |
| UNII-GLI733V999 |
| Balazipone [INN] |
| 3-(2-Acetyl-3-oxo-1-butenyl)benzonitrile |
