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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB120065 |
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Identification |
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| Name: |
acrylate |
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| Description: | Not Available |
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Structure |
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| Synonyms: | - 2-propenoate
- 2-propenoic acid, ion(1−)
- acrylate
- Propenoate
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Chemical Formula: |
C3H3O2 |
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| Average Molecular Weight: |
71.055 |
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| Monoisotopic Molecular
Weight: |
72.021126 |
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| InChI Key: |
NIXOWILDQLNWCW-UHFFFAOYSA-M |
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| InChI: | InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/p-1 |
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| CAS
number: |
79-10-7 |
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| IUPAC Name: | prop-2-enoate |
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Traditional IUPAC Name: |
acrylic acid |
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| SMILES: | C=CC([O-])=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as acrylic acids. These are organic compounds containing acrylic acid CH2=CHCO2H. |
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Kingdom |
Organic compounds |
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| Super Class | Organic acids and derivatives |
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Class |
Carboxylic acids and derivatives |
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| Sub Class | Acrylic acids and derivatives |
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Direct Parent |
Acrylic acids |
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| Alternative Parents |
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| Substituents |
- Acrylic acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Liquid |
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| Charge: | -1 |
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Melting point: |
13 °C |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | 13 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 1000 mg/mL | Not Available | | LogP | 0.35 | 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: |
Not Available |
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Spectra |
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| Spectra: |
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References |
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| References: |
- EAFUS: Everything Added to Food in the United States.
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Download (PDF) |
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Links |
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| External Links: |
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