Introduction：Basic information about CAS 19031-58-4|(3,4-Dimethoxyphenyl)(2H2)acetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (3,4-Dimethoxyphenyl)(2H2)acetic acid |
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| CAS Number | 19031-58-4 | Molecular Weight | 198.212 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 331.4±27.0 °C at 760 mmHg |
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| Molecular Formula | C10H10D2O4 | Melting Point | / |
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| MSDS | / | Flash Point | 130.2±17.2 °C |
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Names
| Name | 3,4-dimethoxyphenylacetic-2,2-d2 acid |
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| Synonym | More Synonyms |
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(3,4-Dimethoxyphenyl)(2H2)acetic acid BiologicalActivity
| Description | 3,4-Dimethoxyphenylacetic acid-d2 is the deuterium labeled 3,4-Dimethoxyphenylacetic acid[1]. 3,4-Dimethoxyphenylacetic acid is a building block in the chemical synthesis[2]. |
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| Related Catalog | Research Areas >>Others |
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| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
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| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. Frederick A, et al. Occurrence of 3,4-Dimethoxyphenylacetic Acid in Urines of Normal and Schizophrenic Individuals. Nature volume211, pages606–608 (06 August 1966) |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 331.4±27.0 °C at 760 mmHg |
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| Molecular Formula | C10H10D2O4 |
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| Molecular Weight | 198.212 |
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| Flash Point | 130.2±17.2 °C |
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| Exact Mass | 198.086105 |
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| PSA | 55.76000 |
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| LogP | 1.24 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.527 |
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| InChIKey | WUAXWQRULBZETB-NCYHJHSESA-N |
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| SMILES | COc1ccc(CC(=O)O)cc1OC |
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Synonyms
| (3,4-Dimethoxyphenyl)(H)acetic acid |
| Benzeneacetic-d acid, 3,4-dimethoxy- |
