Ethyl 2-(1,4-Dioxaspiro[4.5]decan-8-yl)propanoate - CAS 31180-84-4
Catalog: |
BB020820 |
Product Name: |
Ethyl 2-(1,4-Dioxaspiro[4.5]decan-8-yl)propanoate |
CAS: |
31180-84-4 |
Synonyms: |
2-(1,4-dioxaspiro[4.5]decan-8-yl)propanoic acid ethyl ester; ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)propanoate |
IUPAC Name: | ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)propanoate |
Description: | Ethyl 2-(1,4-Dioxaspiro[4.5]decan-8-yl)propanoate (CAS# 31180-84-4 ) is a useful research chemical. |
Molecular Weight: | 242.31 |
Molecular Formula: | C13H22O4 |
Canonical SMILES: | CCOC(=O)C(C)C1CCC2(CC1)OCCO2 |
InChI: | InChI=1S/C13H22O4/c1-3-15-12(14)10(2)11-4-6-13(7-5-11)16-8-9-17-13/h10-11H,3-9H2,1-2H3 |
InChI Key: | DWRLLLQZGGECMA-UHFFFAOYSA-N |
LogP: | 2.11890 |
Publication Number | Title | Priority Date |
AU-2017298262-A1 | Radioligands for imaging the IDO1 enzyme | 20160719 |
JP-2019527225-A | Radioligand for IDO1 enzyme imaging | 20160719 |
KR-20190030727-A | Radioligand for imaging IDO1 enzyme | 20160719 |
US-2019282714-A1 | Radioligands for imaging the ido1 enzyme | 20160719 |
WO-2018017529-A1 | Radioligands for imaging the ido1 enzyme | 20160719 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.15180918 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.15180918 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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