Ethyl 2-(3-Benzofuranyl)acetate - CAS 82156-58-9
Catalog: |
BB036768 |
Product Name: |
Ethyl 2-(3-Benzofuranyl)acetate |
CAS: |
82156-58-9 |
Synonyms: |
2-(3-benzofuranyl)acetic acid ethyl ester; ethyl 2-(1-benzofuran-3-yl)acetate |
IUPAC Name: | ethyl 2-(1-benzofuran-3-yl)acetate |
Description: | Ethyl 2-(3-Benzofuranyl)acetate (CAS# 82156-58-9 ) is a useful research chemical. |
Molecular Weight: | 204.22 |
Molecular Formula: | C12H12O3 |
Canonical SMILES: | CCOC(=O)CC1=COC2=CC=CC=C21 |
InChI: | InChI=1S/C12H12O3/c1-2-14-12(13)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8H,2,7H2,1H3 |
InChI Key: | LSGDCGDXQLDKGO-UHFFFAOYSA-N |
Boiling Point: | 289.778 ℃ at 760 mmHg |
Density: | 1.163 g/cm3 |
MDL: | MFCD08060514 |
LogP: | 2.53840 |
Publication Number | Title | Priority Date |
CN-113214199-A | Synthetic method of benzofuran-3-oxocarboxylate compound | 20210428 |
WO-2021047674-A1 | Bicyclic compound that acts as crbn protein regulator | 20190912 |
US-2019330148-A1 | Plant growth regulator compounds | 20160913 |
WO-2018050477-A1 | Plant growth regulator compounds | 20160913 |
US-11136292-B2 | Plant growth regulator compounds | 20160913 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 39.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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