4-Ethynyl-morpholine - CAS 55082-00-3
Catalog: |
BB065469 |
Product Name: |
4-Ethynyl-morpholine |
CAS: |
55082-00-3 |
Synonyms: |
4-ethynylmorpholine; ethynyl morpholine |
IUPAC Name: | 4-ethynylmorpholine |
Molecular Weight: | 111.14 |
Molecular Formula: | C6H9NO |
Canonical SMILES: | C#CN1CCOCC1 |
InChI: | InChI=1S/C6H9NO/c1-2-7-3-5-8-6-4-7/h1H,3-6H2 |
InChI Key: | AEUHWQJIDCNHQM-UHFFFAOYSA-N |
References: | Aitken, R. A. Science of Synthesis, 22, 565 (2005); Barrett, A. G. M. e-EROS Encyclopedia of Reagents for Organic Synthesis, 1 (2001). |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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