2-oxocyclopentane-1-carbonitrile - CAS 2941-29-9
Catalog: |
BB020183 |
Product Name: |
2-oxocyclopentane-1-carbonitrile |
CAS: |
2941-29-9 |
Synonyms: |
2-oxo-1-cyclopentanecarbonitrile; 2-oxocyclopentane-1-carbonitrile |
IUPAC Name: | 2-oxocyclopentane-1-carbonitrile |
Description: | 2-oxocyclopentane-1-carbonitrile (CAS# 2941-29-9) is a useful research chemical. It acts as a reagent in the preparation of quinolines. |
Molecular Weight: | 109.128 |
Molecular Formula: | C6H7NO |
Canonical SMILES: | C1CC(C(=O)C1)C#N |
InChI: | InChI=1S/C6H7NO/c7-4-5-2-1-3-6(5)8/h5H,1-3H2 |
InChI Key: | IPMQSLPLJDKUPI-UHFFFAOYSA-N |
Boiling Point: | 258 °C at 760 mmHg |
Density: | 1.08 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00154838 |
LogP: | 0.87918 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113429316-A | Method for refining adiponitrile | 20210630 |
CN-111620848-A | Tricyclic condensed aromatic system compound containing pyran and medium ring skeleton and synthesis and application thereof | 20200429 |
CN-111559974-A | Seven-membered ring fused cyclopenta [ b ] indole derivative and synthesis method and application thereof | 20200428 |
CA-3103357-A1 | 3d-printed orthodontic splint made of crosslinked polymers | 20180920 |
KR-20210058821-A | 3D-printed orthodontic splint made of crosslinked polymer | 20180920 |
Complexity: | 153 |
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: | 40.9 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Cyclopentane
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