| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:35 UTC |
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| Update date | 2017-01-19 02:36:42 UTC |
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| FoodComEx ID | PC000953 |
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| FoodDB Record | FDB029844 |
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| Chemical Information |
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| Name | 4-Hydroxyphenyl-2-propionic acid |
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| Description | A polyphenol metabolite detected in biological fluids [PhenolExplorer] |
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| CAS Number | 938-96-5 |
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| Structure | |
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| Synonyms | |
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| Chemical Formula | C9H10O3 |
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| IUPAC name | 2-(4-hydroxyphenyl)propanoic acid |
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| InChI Identifier | InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) |
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| InChI Key | ZHMMPVANGNPCBW-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(C(O)=O)C1=CC=C(O)C=C1 |
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| Average Molecular Weight | 166.1739 |
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| Monoisotopic Molecular Weight | 166.062994186 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Phenylpropanoic acids |
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| Sub Class | Not Available |
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| Direct Parent | Phenylpropanoic acids |
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| Alternative Parents | |
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| Substituents | - 2-phenylpropanoic-acid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Benzenoid
- Monocyclic benzene moiety
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 3 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Not Available |
