1,4-Dioxaspiro[4.4]nonan-7-one - CAS 109459-59-8
Catalog: |
BB002485 |
Product Name: |
1,4-Dioxaspiro[4.4]nonan-7-one |
CAS: |
109459-59-8 |
Synonyms: |
1,4-dioxaspiro[4.4]nonan-8-one; 1,4-dioxaspiro[4.4]nonan-8-one |
IUPAC Name: | 1,4-dioxaspiro[4.4]nonan-8-one |
Description: | 1,4-Dioxaspiro[4.4]nonan-7-one (CAS# 109459-59-8 ) is a useful research chemical. |
Molecular Weight: | 142.15 |
Molecular Formula: | C7H10O3 |
Canonical SMILES: | C1CC2(CC1=O)OCCO2 |
InChI: | InChI=1S/C7H10O3/c8-6-1-2-7(5-6)9-3-4-10-7/h1-5H2 |
InChI Key: | CAJRFMICEAJKGW-UHFFFAOYSA-N |
LogP: | 0.48250 |
Publication Number | Title | Priority Date |
WO-2020084300-A1 | Therapeutic compounds | 20181022 |
EP-3870578-A1 | Therapeutic compounds | 20181022 |
KR-20210080474-A | therapeutic compound | 20181022 |
US-10544099-B2 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 20160504 |
US-10633342-B2 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 20160504 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.062994177 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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