| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:28:00 UTC |
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| Update date | 2017-01-19 02:36:12 UTC |
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| FoodComEx ID | PC000073 |
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| FoodDB Record | Not Available |
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| Chemical Information |
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| Name | 2-Oxo-3-phenylpropanoic acid |
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| Description | Phenylpyruvic_acid |
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| CAS Number | 156-06-9 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-Oxo-3-phenylpropanoic acid | biospider | | 2-oxo-3-Phenylpropanoic acid (mixture oxo and keto) | HMDB |
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| Chemical Formula | Not Available |
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| IUPAC name | Not Available |
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| InChI Identifier | InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) |
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| InChI Key | BTNMPGBKDVTSJY-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)C(=O)CC1=CC=CC=C1 |
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| Average Molecular Weight | 164.158 |
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| Monoisotopic Molecular Weight | 164.047344122 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as phenylpyruvic acid derivatives. Phenylpyruvic acid derivatives are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic 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 | Phenylpyruvic acid derivatives |
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| Direct Parent | Phenylpyruvic acid derivatives |
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| Alternative Parents | |
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| Substituents | - Phenylpyruvate
- 3-phenylpropanoic-acid
- Keto acid
- Alpha-keto acid
- Alpha-hydroxy ketone
- Ketone
- 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 | 154 | |
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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 |
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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 | 7828AA |
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| AKSci | HMDB0000205 |
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| MetaSci | HMDB0000205 |
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