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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120489 |
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Identification |
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| Name: |
(4-hydroxyphenyl)acetaldehyde |
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| Description: | Not Available |
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Structure |
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| Synonyms: | - (4-hydroxyphenyl)acetaldehyde
- 2-(4-Hydroxyphenyl)acetaldehyde
- 4-Hydroxyphenylacetaldehyde
- p-Hydroxyphenylacetaldehyde
- pOH-Ph-CH2CHO
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Chemical Formula: |
C8H8O2 |
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| Average Molecular Weight: |
136.15 |
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| Monoisotopic Molecular
Weight: |
136.05243 |
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| InChI Key: |
IPRPPFIAVHPVJH-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2 |
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| CAS
number: |
7339-87-9 |
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| IUPAC Name: | (4-hydroxyphenyl)acetaldehyde |
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Traditional IUPAC Name: |
p-hydroxyphenylacetaldehyde |
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| SMILES: | C(=O)CC1(C=CC(O)=CC=1) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Benzenoids |
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| Sub Class | Benzene and substituted derivatives |
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Direct Parent |
Phenylacetaldehydes |
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| Alternative Parents |
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| Substituents |
- Phenylacetaldehyde
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Alpha-hydrogen aldehyde
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Solid |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | 1.379 | Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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