3-oxo-3-{spiro[3.3]heptan-2-yl}propanenitrile - CAS 1934963-56-0
Catalog: |
BB014968 |
Product Name: |
3-oxo-3-{spiro[3.3]heptan-2-yl}propanenitrile |
CAS: |
1934963-56-0 |
Synonyms: |
3-oxo-3-(2-spiro[3.3]heptanyl)propanenitrile; 3-oxo-3-spiro[3.3]heptan-2-ylpropanenitrile |
IUPAC Name: | 3-oxo-3-spiro[3.3]heptan-2-ylpropanenitrile |
Description: | 3-oxo-3-{spiro[3.3]heptan-2-yl}propanenitrile (CAS# 1934963-56-0 ) is a useful research chemical. |
Molecular Weight: | 163.22 |
Molecular Formula: | C10H13NO |
Canonical SMILES: | C1CC2(C1)CC(C2)C(=O)CC#N |
InChI: | InChI=1S/C10H13NO/c11-5-2-9(12)8-6-10(7-8)3-1-4-10/h8H,1-4,6-7H2 |
InChI Key: | BIZISPBJTYQKSH-UHFFFAOYSA-N |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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