2-Oxovaleric acid - CAS 1821-02-9
Catalog: |
BB013870 |
Product Name: |
2-Oxovaleric acid |
CAS: |
1821-02-9 |
Synonyms: |
2-oxopentanoic acid |
IUPAC Name: | 2-oxopentanoic acid |
Description: | 2-Oxovaleric Acid can be used as a carbon source for immobilized bacteria in micro-biosensors. |
Molecular Weight: | 116.12 |
Molecular Formula: | C5H8O3 |
Canonical SMILES: | CCCC(=O)C(=O)O |
InChI: | InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8) |
InChI Key: | KDVFRMMRZOCFLS-UHFFFAOYSA-N |
Boiling Point: | 88-90 °C12 mmHg (lit.) |
Melting Point: | 7-9 °C (lit.) |
Purity: | 95 % |
Density: | 1.110 g/mL at 20 °C (lit.) |
Appearance: | Liquid |
Storage: | 2-8 °C |
MDL: | MFCD00066435 |
LogP: | 0.44020 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22350964 | 20120901 | Paracetamol prevents hyperglycinemia in vervet monkeys treated with valproate | Metabolic brain disease |
21571302 | 20120601 | LPS induces HMGB1 relocation and release by activating the NF-κB-CBP signal transduction pathway in the murine macrophage-like cell line RAW264.7 | The Journal of surgical research |
21864484 | 20120201 | Treatment with beta-hydroxybutyrate and melatonin is associated with improved survival in a porcine model of hemorrhagic shock | Resuscitation |
22083276 | 20120201 | Cloning and overexpression of ketopantoic acid reductase gene from Stenotrophomonas maltophilia and its application to stereospecific production of D-pantoic acid | Applied microbiology and biotechnology |
22182471 | 20120201 | Communal microaerophilic-aerobic biodegradation of Amaranth by novel NAR-2 bacterial consortium | Bioresource technology |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.047344113 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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