| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:28 UTC |
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| Update date | 2017-01-19 02:36:29 UTC |
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| FoodComEx ID | PC000600 |
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| FoodDB Record | FDB022832 |
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| Chemical Information |
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| Name | 4-Methoxyphenylacetic acid |
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| Description | 4-Methoxyphenylacetic acid is a 4-O-Methylated catecholamine metabolite found in normal human urine, cerebrospinal fluid and brain tissue. (PMIDs 6511847, 4645252, 12416886) [HMDB] |
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| CAS Number | 104-01-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (4-Methoxy-phenyl)-acetate | hmdb | | (4-Methoxy-phenyl)-acetic acid | hmdb | | (4-Methoxyphenyl)acetate | Generator | | (4-Methoxyphenyl)acetic acid | ChEBI | | (p-Methoxyphenyl)acetate | hmdb | | (p-Methoxyphenyl)acetic acid | hmdb | | 2-(p-Anisyl)acetate | hmdb | | 2-(p-Anisyl)acetic acid | hmdb | | 4-Methoxy phenylacetic acid | hmdb | | 4-methoxy-benzeneacetate | hmdb | | 4-methoxy-benzeneacetic acid | hmdb | | 4-Methoxybenzeneacetate | hmdb | | 4-Methoxybenzeneacetic acid | hmdb | | 4-Methoxyphenylacetate | hmdb | | Homo-p-anisic acid | hmdb | | Homoanisate | hmdb | | Homoanisic acid | hmdb | | p-Methoxy-a-toluate | hmdb | | p-Methoxy-a-toluic acid | hmdb | | p-Methoxy-alpha-toluate | hmdb | | p-Methoxy-alpha-toluic acid | hmdb | | P-Methoxy-α-toluate | Generator | | P-Methoxy-α-toluic acid | Generator | | p-methoxyphenyl-acetate | hmdb | | p-methoxyphenyl-acetic acid | hmdb | | P-Methoxyphenylacetate | Generator | | P-Methoxyphenylacetic acid | ChEBI |
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| Chemical Formula | C9H10O3 |
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| IUPAC name | 2-(4-methoxyphenyl)acetic acid |
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| InChI Identifier | InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
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| InChI Key | NRPFNQUDKRYCNX-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=CC=C(CC(O)=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 anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Phenol ethers |
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| Sub Class | Anisoles |
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| Direct Parent | Anisoles |
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| Alternative Parents | |
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| Substituents | - Phenoxy compound
- Methoxybenzene
- Anisole
- Alkyl aryl ether
- Monocyclic benzene moiety
- 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 | |
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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 1 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 | A101 |
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| AKSci | J92793 |
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| Toronto Research Chemicals | M265780 |
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