| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:31 UTC |
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| Update date | 2017-01-19 02:36:30 UTC |
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| FoodComEx ID | PC000613 |
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| FoodDB Record | FDB022919 |
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| Chemical Information |
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| Name | 3-Phenoxypropionic acid |
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| Description | 3-Phenoxypropionic acid is a histamine H3 (H3 receptors controls histaminergic neuron activity) receptor antagonist (PMID 16246552) [HMDB] |
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| CAS Number | 7170-38-9 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-phenoxy-propanoate | hmdb | | 3-phenoxy-propanoic acid | hmdb | | 3-phenoxypropanoate | hmdb | | 3-phenoxypropanoic acid | hmdb | | 3-Phenoxypropionate | hmdb | | b-phenoxypropionate | hmdb | | b-phenoxypropionic acid | hmdb | | beta-phenoxypropionate | hmdb | | beta-phenoxypropionic acid | hmdb |
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| Chemical Formula | C9H10O3 |
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| IUPAC name | 3-phenoxypropanoic acid |
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| InChI Identifier | InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) |
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| InChI Key | BUSOTUQRURCMCM-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)CCOC1=CC=CC=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 3-phenoxypropionic acids. These are aromatic compounds containing a 3-phenoxypropionic acid. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | 3-phenoxypropionic acids |
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| Direct Parent | 3-phenoxypropionic acids |
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| Alternative Parents | |
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| Substituents | - 3-phenoxypropionic acid
- Phenoxy compound
- Phenol ether
- Alkyl aryl ether
- Monocarboxylic acid or derivatives
- Ether
- 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 | Not Available |
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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 2 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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| AKSci | C217 |
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