ethyl 2-(oxolan-3-yl)acetate - CAS 90113-46-5
Catalog: |
BB039768 |
Product Name: |
ethyl 2-(oxolan-3-yl)acetate |
CAS: |
90113-46-5 |
Synonyms: |
2-(3-oxolanyl)acetic acid ethyl ester; ethyl 2-(oxolan-3-yl)acetate |
IUPAC Name: | ethyl 2-(oxolan-3-yl)acetate |
Description: | ethyl 2-(oxolan-3-yl)acetate (CAS# 90113-46-5) is a useful research chemical compound. |
Molecular Weight: | 158.197 |
Molecular Formula: | C8H14O3 |
Canonical SMILES: | CCOC(=O)CC1CCOC1 |
InChI: | InChI=1S/C8H14O3/c1-2-11-8(9)5-7-3-4-10-6-7/h7H,2-6H2,1H3 |
InChI Key: | JOOJRDULDNTXSL-UHFFFAOYSA-N |
LogP: | 0.97610 |
Publication Number | Title | Priority Date |
WO-2021154842-A1 | Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding | 20200128 |
AU-2013270672-A1 | Macrocyclic inhibitors of flaviviridae viruses | 20120608 |
AU-2013270672-B2 | Macrocyclic inhibitors of flaviviridae viruses | 20120608 |
EA-026235-B1 | Macrocyclic inhibitors of flaviviridae viruses | 20120608 |
EP-2861604-A1 | Macrocyclic inhibitors of flaviviridae viruses | 20120608 |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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