2,3-Dimethylsuccinic acid - CAS 13545-04-5
Catalog: |
BB008177 |
Product Name: |
2,3-Dimethylsuccinic acid |
CAS: |
13545-04-5 |
Synonyms: |
2,3-dimethylbutanedioic acid |
IUPAC Name: | 2,3-dimethylbutanedioic acid |
Description: | 2,3-Dimethylsuccinic acid (CAS# 13545-04-5) is a useful research chemical. |
Molecular Weight: | 146.14 |
Molecular Formula: | C6H10O4 |
Canonical SMILES: | CC(C(C)C(=O)O)C(=O)O |
InChI: | InChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10) |
InChI Key: | KLZYRCVPDWTZLH-UHFFFAOYSA-N |
Boiling Point: | 241.9 °C at 760 mmHg |
Melting Point: | 118-122 °C |
Purity: | 95 % |
Density: | 1.242 g/cm3 |
Appearance: | White to almost white crystalline powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00002657 |
LogP: | 0.42780 |
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 |
23030279 | 20121015 | Isomer-directed structural diversity and its effect on the nanosheet exfoliation and magnetic properties of 2,3-dimethylsuccinate hybrid frameworks | Inorganic chemistry |
21856646 | 20111101 | Diglycolic acid is the nephrotoxic metabolite in diethylene glycol poisoning inducing necrosis in human proximal tubule cells in vitro | Toxicological sciences : an official journal of the Society of Toxicology |
15944208 | 20051101 | Functional characterization of high-affinity Na(+)/dicarboxylate cotransporter found in Xenopus laevis kidney and heart | American journal of physiology. Cell physiology |
15561973 | 20050401 | Substrate specificity of the human renal sodium dicarboxylate cotransporter, hNaDC-3, under voltage-clamp conditions | American journal of physiology. Renal physiology |
12397032 | 20021101 | The renal Na(+)-dependent dicarboxylate transporter, NaDC-3, translocates dimethyl- and disulfhydryl-compounds and contributes to renal heavy metal detoxification | Journal of the American Society of Nephrology : JASN |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.05790880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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