| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:23 UTC |
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| Update date | 2017-01-19 02:36:41 UTC |
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| FoodComEx ID | PC000913 |
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| FoodDB Record | FDB022785 |
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| Chemical Information |
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| Name | 4-Hydroxycyclohexylcarboxylic acid |
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| Description | A rare compound in urinary organic acid analysis [HMDB] |
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| CAS Number | 17419-81-7 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 4-Hydroxycyclohexane-1-carboxylic acid | hmdb | | 4-Hydroxycyclohexanecarboxylic acid | hmdb |
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| Chemical Formula | C7H12O3 |
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| IUPAC name | 4-hydroxycyclohexane-1-carboxylic acid |
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| InChI Identifier | InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10) |
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| InChI Key | HCFRWBBJISAZNK-UHFFFAOYSA-N |
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| Isomeric SMILES | OC1CCC(CC1)C(O)=O |
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| Average Molecular Weight | 144.1684 |
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| Monoisotopic Molecular Weight | 144.07864425 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Alcohols and polyols |
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| Direct Parent | Cyclohexanols |
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| Alternative Parents | |
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| Substituents | - Cyclohexanol
- Cyclic alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic 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 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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| AKSci | 9006AA |
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