Ethyl 2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)propanoate - CAS 19620-33-8
Catalog: |
BB015189 |
Product Name: |
Ethyl 2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)propanoate |
CAS: |
19620-33-8 |
Synonyms: |
2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid ethyl ester; ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoate |
IUPAC Name: | ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoate |
Description: | Ethyl 2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)propanoate (CAS# 19620-33-8 ) is a useful research chemical. |
Molecular Weight: | 240.30 |
Molecular Formula: | C13H20O4 |
Canonical SMILES: | CCOC(=O)C(=C1CCC2(CC1)OCCO2)C |
InChI: | InChI=1S/C13H20O4/c1-3-15-12(14)10(2)11-4-6-13(7-5-11)16-8-9-17-13/h3-9H2,1-2H3 |
InChI Key: | LNZFOEZRSXUJFJ-UHFFFAOYSA-N |
LogP: | 2.18310 |
Publication Number | Title | Priority Date |
AU-2017298262-A1 | Radioligands for imaging the IDO1 enzyme | 20160719 |
EP-3487516-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 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.13615911 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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