Diethyl 2-Oxosuccinate - CAS 108-56-5
Catalog: |
BB002287 |
Product Name: |
Diethyl 2-Oxosuccinate |
CAS: |
108-56-5 |
Synonyms: |
2-oxobutanedioic acid diethyl ester; diethyl 2-oxobutanedioate |
IUPAC Name: | diethyl 2-oxobutanedioate |
Description: | Diethyl 2-Oxosuccinate (CAS# 108-56-5) is an allosteric inhibitor of human m-NAD(P)-ME. |
Molecular Weight: | 188.18 |
Molecular Formula: | C8H12O5 |
Canonical SMILES: | CCOC(=O)CC(=O)C(=O)OCC |
InChI: | InChI=1S/C8H12O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h3-5H2,1-2H3 |
InChI Key: | JDXYSCUOABNLIR-UHFFFAOYSA-N |
Boiling Point: | 254.2 °C at 760 mmHg |
Density: | 1.142 g/cm3 |
Appearance: | Oily liquid |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD00059229 |
LogP: | 0.55450 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.06847348 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.06847348 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 69.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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