2-(Oxiran-2-yl)acetonitrile - CAS 624-58-8
Catalog: |
BB031597 |
Product Name: |
2-(Oxiran-2-yl)acetonitrile |
CAS: |
624-58-8 |
Synonyms: |
2-(2-oxiranyl)acetonitrile; 2-(oxiran-2-yl)acetonitrile |
IUPAC Name: | 2-(oxiran-2-yl)acetonitrile |
Description: | 2-(Oxiran-2-yl)acetonitrile (CAS# 624-58-8) is a useful research chemical. |
Molecular Weight: | 83.09 |
Molecular Formula: | C4H5NO |
Canonical SMILES: | C1C(O1)CC#N |
InChI: | InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2 |
InChI Key: | PITLRSDLRTWZGP-UHFFFAOYSA-N |
Boiling Point: | 198.5 °C at 760 mmHg |
Density: | 1.104 g/cm3 |
LogP: | 0.29888 |
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PMID | Publication Date | Title | Journal |
23761299 | 20130901 | Vestibulotoxic properties of potential metabolites of allylnitrile | Toxicological sciences : an official journal of the Society of Toxicology |
Complexity: | 91 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 83.037113783 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 83.037113783 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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