3,6-Dihydro-2H-pyran-4-carbonitrile - CAS 105772-13-2
Catalog: |
BB062961 |
Product Name: |
3,6-Dihydro-2H-pyran-4-carbonitrile |
CAS: |
105772-13-2 |
Synonyms: |
3,6-Dihydro-2H-pyran-4-carbonitrile; 2H-Pyran-4-carbonitrile, 3,6-dihydro- |
IUPAC Name: | 3,6-dihydro-2H-pyran-4-carbonitrile |
Description: | 3,6-Dihydro-2H-pyran-4-carbonitrile |
Molecular Weight: | 109.13 |
Molecular Formula: | C6H7NO |
Canonical SMILES: | C1COCC=C1C#N |
InChI: | InChI=1S/C6H7NO/c7-5-6-1-3-8-4-2-6/h1H,2-4H2 |
InChI Key: | MICNNRIXWURVND-UHFFFAOYSA-N |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 109.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 109.052763847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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