Cycloundecanone - CAS 878-13-7
Catalog: |
BB038643 |
Product Name: |
Cycloundecanone |
CAS: |
878-13-7 |
Synonyms: |
cycloundecanone |
IUPAC Name: | cycloundecanone |
Description: | Cycloundecanone (CAS# 878-13-7) is a useful research chemical. |
Molecular Weight: | 168.28 |
Molecular Formula: | C11H20O |
Canonical SMILES: | C1CCCCCC(=O)CCCC1 |
InChI: | InChI=1S/C11H20O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h1-10H2 |
InChI Key: | UPOSSYJVWXLPTA-UHFFFAOYSA-N |
Density: | 0.898 g/cm3 |
MDL: | MFCD00003715 |
LogP: | 3.47010 |
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PMID | Publication Date | Title | Journal |
21990014 | 20111104 | Structure-activity relationship for the first-in-class clinical steroid sulfatase inhibitor Irosustat (STX64, BN83495) | ChemMedChem |
19604677 | 20091201 | Differential influence of selective 5-HT5A vs 5-HT1A, 5-HT1B, or 5-HT2C receptor blockade upon light-induced phase shifts in circadian activity rhythms: interaction studies with citalopram | European neuropsychopharmacology : the journal of the European College of Neuropsychopharmacology |
17580903 | 20070720 | Beyond the corey reaction: one-step diolefination of cyclic ketones | The Journal of organic chemistry |
12271698 | 20020907 | X-ray structure of the delta-cyclodextrin complex with cycloundecanone | Chemical communications (Cambridge, England) |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.151415257 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.151415257 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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