2-Cyanotetrahydrofuran - CAS 14631-43-7
Catalog: |
BB010072 |
Product Name: |
2-Cyanotetrahydrofuran |
CAS: |
14631-43-7 |
Synonyms: |
2-oxolanecarbonitrile; oxolane-2-carbonitrile |
IUPAC Name: | oxolane-2-carbonitrile |
Description: | 2-Cyanotetrahydrofuran (CAS# 14631-43-7) is a useful research chemical. |
Molecular Weight: | 97.12 |
Molecular Formula: | C5H7NO |
Canonical SMILES: | C1CC(OC1)C#N |
InChI: | InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h5H,1-3H2 |
InChI Key: | RZZIKHSWRWWPAN-UHFFFAOYSA-N |
LogP: | 0.68898 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22956312 | 20121015 | Buffer gas modifiers effect resolution in ion mobility spectrometry through selective ion-molecule clustering reactions | Rapid communications in mass spectrometry : RCM |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 97.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 97.052763847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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