7-Hydroxy-3-oxaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dioxolane] - CAS 1952348-55-8
Catalog: |
BB015114 |
Product Name: |
7-Hydroxy-3-oxaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dioxolane] |
CAS: |
1952348-55-8 |
Synonyms: |
7'-spiro[1,3-dioxolane-2,9'-3-oxabicyclo[3.3.1]nonane]ol; spiro[1,3-dioxolane-2,9'-3-oxabicyclo[3.3.1]nonane]-7'-ol |
IUPAC Name: | spiro[1,3-dioxolane-2,9'-3-oxabicyclo[3.3.1]nonane]-7'-ol |
Description: | 7-Hydroxy-3-oxaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dioxolane] (CAS# 1952348-55-8 ) is a useful research chemical. |
Molecular Weight: | 200.23 |
Molecular Formula: | C10H16O4 |
Canonical SMILES: | C1COC2(O1)C3CC(CC2COC3)O |
InChI: | InChI=1S/C10H16O4/c11-9-3-7-5-12-6-8(4-9)10(7)13-1-2-14-10/h7-9,11H,1-6H2 |
InChI Key: | OHYVHBLMSSTVFY-UHFFFAOYSA-N |
LogP: | 0.14680 |
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 |
US-2016176861-A1 | Hydroxy containing fxr (nr1h4) modulating compounds | 20141217 |
US-9751874-B2 | Hydroxy containing FXR (NR1H4) modulating compounds | 20141217 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.10485899 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 47.9 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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