Phenyl(3-oxaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dioxolan]-7-yl)methanone - CAS 1952348-86-5
Catalog: |
BB015116 |
Product Name: |
Phenyl(3-oxaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dioxolan]-7-yl)methanone |
CAS: |
1952348-86-5 |
Synonyms: |
phenyl(7'-spiro[1,3-dioxolane-2,9'-3-oxabicyclo[3.3.1]nonane]yl)methanone; phenyl(spiro[1,3-dioxolane-2,9'-3-oxabicyclo[3.3.1]nonane]-7'-yl)methanone |
IUPAC Name: | phenyl(spiro[1,3-dioxolane-2,9'-3-oxabicyclo[3.3.1]nonane]-7'-yl)methanone |
Description: | Phenyl(3-oxaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dioxolan]-7-yl)methanone (CAS# 1952348-86-5 ) is a useful research chemical. |
Molecular Weight: | 288.34 |
Molecular Formula: | C17H20O4 |
Canonical SMILES: | C1COC2(O1)C3CC(CC2COC3)C(=O)C4=CC=CC=C4 |
InChI: | InChI=1S/C17H20O4/c18-16(12-4-2-1-3-5-12)13-8-14-10-19-11-15(9-13)17(14)20-6-7-21-17/h1-5,13-15H,6-11H2 |
InChI Key: | ILDOPFPVKCJJIJ-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: | 380 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.13615911 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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