2-Oxaspiro[2.5]octanecarbonitrile - CAS 36929-66-5
Catalog: |
BB043943 |
Product Name: |
2-Oxaspiro[2.5]octanecarbonitrile |
CAS: |
36929-66-5 |
Synonyms: |
1-Oxaspiro[2.5]octan-2-kohlenitrile; 2-oxaspiro[2.5]octane-1-carbonitrile; 2-Cyano-1-oxaspiro[2.5]octane |
IUPAC Name: | 1-oxaspiro[2.5]octane-2-carbonitrile |
Description: | 2-Oxaspiro[2.5]octanecarbonitrile (CAS# 36929-66-5 ) is a useful research chemical. |
Molecular Weight: | 137.18 |
Molecular Formula: | C8H11NO |
Canonical SMILES: | C1CCC2(CC1)C(O2)C#N |
InChI: | InChI=1S/C8H11NO/c9-6-7-8(10-7)4-2-1-3-5-8/h7H,1-5H2 |
InChI Key: | XHQXDTZBGXZOTI-UHFFFAOYSA-N |
Boiling Point: | 275.2±33.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.084063974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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