Citraconic acid - CAS 498-23-7
Catalog: |
BB026831 |
Product Name: |
Citraconic acid |
CAS: |
498-23-7 |
Synonyms: |
(Z)-2-methylbut-2-enedioate |
IUPAC Name: | (Z)-2-methylbut-2-enedioic acid |
Description: | Citraconic acid (CAS# 498-23-7) is a useful research chemical. A methyl-branched fatty acids. |
Molecular Weight: | 130.10 |
Molecular Formula: | C5H4O4-2 |
Canonical SMILES: | CC(=CC(=O)[O-])C(=O)[O-] |
InChI: | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/p-2/b3-2- |
InChI Key: | HNEGQIOMVPPMNR-IHWYPQMZSA-L |
Boiling Point: | 336 °C |
Melting Point: | 88-92 °C |
Purity: | 95 % |
Density: | 1.62 g/cm3 |
Solubility: | 783.0 mg/mL |
Appearance: | Hygroscopic, off-white powder. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. |
MDL: | MFCD00078086 |
LogP: | 0.10190 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2011224393-A1 | Regulated and continuous polymerization of polycarboxylic acid polymers | 20100311 |
US-2012070867-A1 | process for the enzymatic reduction of enoates | 20090604 |
US-2010048736-A1 | Anionic charge-dynamic polymers for release of cationic agents | 20080605 |
US-2009286947-A1 | Polycarboxylic acid polymers | 20080516 |
US-2010016153-A1 | Absorbing Materials Containing Polycarboxylic Acid Polymers | 20080516 |
PMID | Publication Date | Title | Journal |
29968805 | 20180703 | Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics | Scientific reports |
28289076 | 20170601 | Fumarate Mediates a Chronic Proliferative Signal in Fumarate Hydratase-Inactivated Cancer Cells by Increasing Transcription and Translation of Ferritin Genes | Molecular and cellular biology |
27277809 | 20160608 | Distinct Nrf2 Signaling Mechanisms of Fumaric Acid Esters and Their Role in Neuroprotection against 1-Methyl-4-Phenyl-1,2,3,6-Tetrahydropyridine-Induced Experimental Parkinson's-Like Disease | The Journal of neuroscience : the official journal of the Society for Neuroscience |
22072423 | 20120301 | Regulation of proton-coupled folate transporter in retinal Müller cells by the antipsoriatic drug monomethylfumarate | Glia |
21995308 | 20111201 | Downregulation of endothelial adhesion molecules by dimethylfumarate, but not monomethylfumarate, and impairment of dynamic lymphocyte-endothelial cell interactions | Experimental dermatology |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 130.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.02660867 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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