Bicyclo[3.3.1]nonan-9-one - CAS 17931-55-4
Catalog: |
BB013562 |
Product Name: |
Bicyclo[3.3.1]nonan-9-one |
CAS: |
17931-55-4 |
Synonyms: |
bicyclo[3.3.1]nonan-9-one |
IUPAC Name: | bicyclo[3.3.1]nonan-9-one |
Description: | Bicyclo[3.3.1]nonan-9-one (CAS# 17931-55-4 ) is a useful research chemical. |
Molecular Weight: | 138.21 |
Molecular Formula: | C9H14O |
Canonical SMILES: | C1CC2CCCC(C1)C2=O |
InChI: | InChI=1S/C9H14O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2 |
InChI Key: | SKTMMSQPXGWCAP-UHFFFAOYSA-N |
Boiling Point: | 219.8 °C at 760 mmHg |
Melting Point: | 155-157 °C(lit.) |
Purity: | 95 % |
Density: | 1.007 g/cm3 |
MDL: | MFCD00074752 |
LogP: | 2.15570 |
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 |
JP-2019521977-A | FXR (NR1H4) modulating compound | 20160613 |
CN-106518768-B | Acrylic acid derivative, preparation method and medical application thereof | 20150915 |
US-2018339993-A1 | Azaspiro derivatives as trpm8 antagonists | 20140314 |
EP-2877526-A1 | Rubber composition comprising an epoxy resin and a polyimine hardener | 20120725 |
EP-2877526-B1 | Rubber composition comprising an epoxy resin and a polyimine hardener | 20120725 |
PMID | Publication Date | Title | Journal |
14747871 | 20040207 | Thermal decomposition of O-benzyl ketoximes; role of reverse radical disproportionation | Organic & biomolecular chemistry |
14535620 | 20030101 | Kappa-receptor selective binding of opioid ligands with a heterocyclic bicyclo[3.3.1]nonan-9-one structure | Acta biologica Hungarica |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.104465066 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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