3-Oxabicyclo[3.1.0]hexane-2,4-dione - CAS 5617-74-3
Catalog: |
BB029283 |
Product Name: |
3-Oxabicyclo[3.1.0]hexane-2,4-dione |
CAS: |
5617-74-3 |
Synonyms: |
3-oxabicyclo[3.1.0]hexane-2,4-dione; 3-oxabicyclo[3.1.0]hexane-2,4-dione |
IUPAC Name: | 3-oxabicyclo[3.1.0]hexane-2,4-dione |
Description: | 3-Oxabicyclo[3.1.0]hexane-2,4-dione (CAS# 5617-74-3) is used as a reagent in synthesis of several organic compounds including that of a newly discovered histamine H3 receptor inverse agonist that enhances short term memory. Also used in the synthesis of phthalazinone derivatives which act as topically active phosphodiesterase 4 inhibitors. |
Molecular Weight: | 112.08 |
Molecular Formula: | C5H4O3 |
Canonical SMILES: | C1C2C1C(=O)OC2=O |
InChI: | InChI=1S/C5H4O3/c6-4-2-1-3(2)5(7)8-4/h2-3H,1H2 |
InChI Key: | ZRMYHUFDVLRYPN-UHFFFAOYSA-N |
Boiling Point: | 280.5 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.567 g/cm3 |
MDL: | MFCD00126929 |
LogP: | -0.29410 |
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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Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.016043985 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.016043985 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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