4-Oxobedfordiaic acid structure
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Common Name | 4-Oxobedfordiaic acid | ||
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| CAS Number | 68799-38-2 | Molecular Weight | 250.33 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 411.4±38.0 °C at 760 mmHg | |
| Molecular Formula | C15H22O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 216.8±23.3 °C | |
Use of 4-Oxobedfordiaic acid4-Oxobedfordiaic acid is an orally active natural product, that can be isolated from Xanthium cavanillesi. 4-Oxobedfordiaic acid shows anti-ulcerogenic activity[1]. |
| Name | 2-[(1R,5S)-5-Methyl-4-(3-oxobutyl)-3-cyclohepten-1-yl]acrylic aci d |
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| Synonym | More Synonyms |
| Description | 4-Oxobedfordiaic acid is an orally active natural product, that can be isolated from Xanthium cavanillesi. 4-Oxobedfordiaic acid shows anti-ulcerogenic activity[1]. |
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| Related Catalog | |
| References |
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 411.4±38.0 °C at 760 mmHg |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.33 |
| Flash Point | 216.8±23.3 °C |
| Exact Mass | 250.156891 |
| PSA | 54.37000 |
| LogP | 3.41 |
| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
| Index of Refraction | 1.488 |
| InChIKey | NIQIMYXBAQAIAT-IINYFYTJSA-N |
| SMILES | C=C(C(=O)O)C1CC=C(CCC(C)=O)C(C)CC1 |
| Hazard Codes | Xi |
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| 2-[(1R,5S)-5-Methyl-4-(3-oxobutyl)-3-cyclohepten-1-yl]acrylic acid |
| 3-Cycloheptene-1-acetic acid, 5-methyl-α-methylene-4-(3-oxobutyl)-, (1R,5S)- |