Ethyl 2-Oxopentanoate - CAS 50461-74-0
Catalog: |
BB027066 |
Product Name: |
Ethyl 2-Oxopentanoate |
CAS: |
50461-74-0 |
Synonyms: |
2-oxopentanoic acid ethyl ester; ethyl 2-oxopentanoate |
IUPAC Name: | ethyl 2-oxopentanoate |
Description: | Ethyl 2-Oxopentanoate (CAS# 50461-74-0) is used as a reagent to synthesize selective CB1 cannabinoid receptor antagonists. Ethyl 2-oxopentanoate is also used to synthesize derivatives of iminodiacid, an inhibitor of angiotensin converting enzyme. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | CCCC(=O)C(=O)OCC |
InChI: | InChI=1S/C7H12O3/c1-3-5-6(8)7(9)10-4-2/h3-5H2,1-2H3 |
InChI Key: | YERWBBMSDMSDKT-UHFFFAOYSA-N |
Boiling Point: | 182.5 °C at 760 mmHg |
Density: | 0.996 g/cm3 |
Appearance: | Yellow clear liquid |
MDL: | MFCD06410882 |
LogP: | 0.91870 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.078644241 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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