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Basic Description
| Synonyms | BENZOYLFORMIC ACID | Phenylglyoxylic acid | 611-73-4 | 2-Oxo-2-phenylacetic acid | Oxophenylacetic acid | Benzeneglyoxylic acid | Phenylgloxylic acid | oxo(phenyl)acetic acid | Phenyloxoacetic acid | 2-Phenylethanoic acid | Benzoylformate | Phenylglyoxalate | Glyoxylic acid, phe |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Benzoyl derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Aryl ketones Alpha-keto acids and derivatives Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl ketone - Benzoyl - 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 |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | 2-oxo monocarboxylic acid |
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Associated Targets(non-human)
Ptpn1
Protein-tyrosine phosphatase 1B (270 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Pdk1
Pyruvate dehydrogenase kinase (250 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 2-oxo-2-phenylacetic acid |
|---|---|
| INCHI | InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) |
| InChIKey | FAQJJMHZNSSFSM-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C=C1)C(=O)C(=O)O |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)C(=O)O |
| WGK Germany | 3 |
| RTECS | DA1480000 |
| Molecular Weight | 150.13 |
| Beilstein | 606718 |
| Reaxy-Rn | 606718 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606718&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | light sensitive,Moisture sensitive |
|---|---|
| Boil Point(°C) | 147.5°C |
| Melt Point(°C) | 66°C |
| Molecular Weight | 150.130 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 150.032 Da |
| Monoisotopic Mass | 150.032 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 168.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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