7-Benzoyl-3-oxabicyclo[3.3.1]nonan-9-one - CAS 1952348-85-4
Catalog: |
BB015115 |
Product Name: |
7-Benzoyl-3-oxabicyclo[3.3.1]nonan-9-one |
CAS: |
1952348-85-4 |
Synonyms: |
7-benzoyl-3-oxabicyclo[3.3.1]nonan-9-one; 7-benzoyl-3-oxabicyclo[3.3.1]nonan-9-one |
IUPAC Name: | 7-benzoyl-3-oxabicyclo[3.3.1]nonan-9-one |
Description: | 7-Benzoyl-3-oxabicyclo[3.3.1]nonan-9-one (CAS# 1952348-85-4 ) is a useful research chemical. |
Molecular Weight: | 244.29 |
Molecular Formula: | C15H16O3 |
Canonical SMILES: | C1C(CC2COCC1C2=O)C(=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H16O3/c16-14(10-4-2-1-3-5-10)11-6-12-8-18-9-13(7-11)15(12)17/h1-5,11-13H,6-9H2 |
InChI Key: | WXDZTXFDBQIBQH-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2017355694-A1 | Fxr (nr1h4) modulating compounds | 20160613 |
US-9932332-B2 | FXR (NR1H4) modulating compounds | 20160613 |
WO-2017218379-A1 | Fxr (nr1h4) modulating compounds | 20160613 |
EP-3233850-B1 | Hydroxy containing fxr (nr1h4) modulating compounds | 20141217 |
US-2016176861-A1 | Hydroxy containing fxr (nr1h4) modulating compounds | 20141217 |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.109944368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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