Introduction：Basic information about CAS 3247-75-4|3-(3-hydroxyphenyl)-3-hydroxypropionic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(3-hydroxyphenyl)-3-hydroxypropionic acid |
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| CAS Number | 3247-75-4 | Molecular Weight | 182.173 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 421.7±35.0 °C at 760 mmHg |
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| Molecular Formula | C9H10O4 | Melting Point | / |
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| MSDS | / | Flash Point | 223.0±22.4 °C |
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Names
| Name | 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | 3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid is an endogenous metabolite present in Urine that can be used for the research of Autism[1][2]. |
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| Related Catalog | Research Areas >>Neurological Disease |
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| Target | Microbial Metabolite Human Endogenous Metabolite |
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| In Vitro | Endogenous metabolites is defined as those that are annotated by Kyoto Encyclopedia of Genes and Genomes as substrates or products of the ~1900 metabolic enzymes encoded in our genome. It is clear in the body of literature that there are documented toxic properties for many of these metabolites[1]. |
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| References | [1]. Lee N, et al. Endogenous toxic metabolites and implications in cancer therapy. Oncogene. 2020 Aug;39(35):5709-5720. [2]. Shaw W. Increased urinary excretion of a 3-(3-hydroxyphenyl)-3-hydroxypropionic acid (HPHPA), an abnormal phenylalanine metabolite of Clostridia spp. in the gastrointestinal tract, in urine samples from patients with autism and schizophrenia. Nutr Neurosci. 2010 Jun;13(3):135-43. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 421.7±35.0 °C at 760 mmHg |
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| Molecular Formula | C9H10O4 |
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| Molecular Weight | 182.173 |
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| Flash Point | 223.0±22.4 °C |
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| Exact Mass | 182.057907 |
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| PSA | 77.76000 |
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| LogP | -0.45 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.615 |
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| InChIKey | KHTAGVZHYUZYMF-UHFFFAOYSA-N |
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| SMILES | O=C(O)CC(O)c1cccc(O)c1 |
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Safety Information
Customs
| HS Code | 2918290000 |
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| Summary | HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid |
| Benzenepropanoic acid, β,3-dihydroxy- |
| 3-(3-Hydroxyphenyl)-3-hydroxypropionic acid |
| benzenepropanoic acid,|A,3-dihydroxy |
| (+-)-3-hydroxy-3-(3-hydroxy-phenyl)-propionic acid |
| (+-)-3-Hydroxy-3-(3-hydroxy-phenyl)-propionsaeure |
| 3-Hydroxy-3-(3-hydroxyphenyl)propanoic acid |
| HPHPA |
| mHPHA |
