(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carbonitrile - CAS 866083-42-3
Catalog: |
BB074277 |
Product Name: |
(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carbonitrile |
CAS: |
866083-42-3 |
Synonyms: |
(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile |
IUPAC Name: | (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile |
Molecular Weight: | 108.14 |
Molecular Formula: | C6H8N2 |
Canonical SMILES: | C1C2CC2NC1C#N |
InChI: | InChI=1S/C6H8N2/c7-3-5-1-4-2-6(4)8-5/h4-6,8H,1-2H2/t4-,5+,6+/m1/s1 |
InChI Key: | ZQSMZFIOPBRRKZ-SRQIZXRXSA-N |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 108.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 108.068748264 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 35.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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