3,4-Epoxy-1-cyclohexene - CAS 6705-51-7
Catalog: |
BB033177 |
Product Name: |
3,4-Epoxy-1-cyclohexene |
CAS: |
6705-51-7 |
Synonyms: |
7-oxabicyclo[4.1.0]hept-2-ene |
IUPAC Name: | 7-oxabicyclo[4.1.0]hept-2-ene |
Description: | 3,4-Epoxy-1-cyclohexene (CAS# 6705-51-7 ) is a useful research chemical. |
Molecular Weight: | 96.13 |
Molecular Formula: | C6H8O |
Canonical SMILES: | C1CC2C(O2)C=C1 |
InChI: | InChI=1S/C6H8O/c1-2-4-6-5(3-1)7-6/h1,3,5-6H,2,4H2 |
InChI Key: | ILSLNOWZSKKNJQ-UHFFFAOYSA-N |
Boiling Point: | 127.8 °C at 760 mmHg |
Density: | 1.073 g/cm3 |
LogP: | 1.10380 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P261, P264, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P333+P313, P337+P313, P363, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18205317 | 20080301 | Chiral version of the Burgess reagent and its reactions with oxiranes: application to the formal enantiodivergent synthesis of balanol | Journal of natural products |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 96.057514874 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 96.057514874 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.5 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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