Bicyclo[3.3.1]nonane-2,6-dione - CAS 16473-11-3
Catalog: |
BB012141 |
Product Name: |
Bicyclo[3.3.1]nonane-2,6-dione |
CAS: |
16473-11-3 |
Synonyms: |
bicyclo[3.3.1]nonane-2,6-dione |
IUPAC Name: | bicyclo[3.3.1]nonane-2,6-dione |
Description: | Bicyclo[3.3.1]nonane-2,6-dione (CAS# 16473-11-3) is an intermediate in the synthesis of chiral Adamantane derivative. |
Molecular Weight: | 152.19 |
Molecular Formula: | C9H12O2 |
Canonical SMILES: | C1CC(=O)C2CCC(=O)C1C2 |
InChI: | InChI=1S/C9H12O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-7H,1-5H2 |
InChI Key: | QWNPVTXLBMSEPN-UHFFFAOYSA-N |
Boiling Point: | 283.7 °C at 760 mmHg, 180 °C / 20 mmHg |
Density: | 1.138 g/cm3 |
Appearance: | White to yellow powder or crystals |
MDL: | MFCD00153926 |
LogP: | 1.33470 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020223536-A1 | Substituted cyclolakyls as modulators of the integrated stress pathway | 20190430 |
TW-202106671-A | Modulators of the integrated stress pathway | 20190430 |
EP-3810117-A1 | Novel [3.3.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors | 20180601 |
US-2021214308-A1 | Novel [3.3.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors | 20180601 |
TW-201932447-A | Integrating stress pathway regulator | 20171102 |
PMID | Publication Date | Title | Journal |
20187041 | 20100406 | Synthesis and self-aggregation of enantiopure and racemic molecular tweezers based on the bicyclo[3.3.1]nonane framework | Chemistry (Weinheim an der Bergstrasse, Germany) |
21200923 | 20071206 | 2,3,10,11-Tetra-meth-oxy-6,7,14,15-tetra-hydro-6,14-methano-cyclo-octa-[1,2-b;5,6-b']diquinoline | Acta crystallographica. Section E, Structure reports online |
11746803 | 20010101 | Determination of the absolute configuration of bicyclo[3.3.1]nonane-2,7-dione by circular dichroism spectroscopy and chemical correlation | Chirality |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.083729621 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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