Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic Anhydride - CAS 6708-37-8
Catalog: |
BB033189 |
Product Name: |
Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic Anhydride |
CAS: |
6708-37-8 |
Synonyms: |
4-oxatricyclo[5.2.2.0^{2,6}]undec-8-ene-3,5-dione; 4-oxatricyclo[5.2.2.0^{2,6}]undec-8-ene-3,5-dione |
IUPAC Name: | 4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione |
Description: | Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride is a useful research chemical. |
Molecular Weight: | 178.18 |
Molecular Formula: | C10H10O3 |
Canonical SMILES: | C1CC2C=CC1C3C2C(=O)OC3=O |
InChI: | InChI=1S/C10H10O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h1-2,5-8H,3-4H2 |
InChI Key: | YIHKILSPWGDWPR-UHFFFAOYSA-N |
Boiling Point: | 340.9±42.0 °C (Predicted) |
Melting Point: | 148 °C |
Density: | 1.324 g/cm3 |
Solubility: | Other solvents(Soluble) : Acetone |
LogP: | 0.89820 |
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 |
11724614 | 20011205 | NMR experimental evidence of the differentiation of enantiotopic directions in C(s) and C(2v) molecules using partially oriented, chiral media | Journal of the American Chemical Society |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.062994177 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 4 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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