Ethyl 3-(2-Pyridyl)propiolate - CAS 66869-70-3
Catalog: |
BB033116 |
Product Name: |
Ethyl 3-(2-Pyridyl)propiolate |
CAS: |
66869-70-3 |
Synonyms: |
3-(2-pyridinyl)-2-propynoic acid ethyl ester; ethyl 3-pyridin-2-ylprop-2-ynoate |
IUPAC Name: | ethyl 3-pyridin-2-ylprop-2-ynoate |
Description: | Ethyl 3-(2-Pyridyl)propiolate (CAS# 66869-70-3) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CCOC(=O)C#CC1=CC=CC=N1 |
InChI: | InChI=1S/C10H9NO2/c1-2-13-10(12)7-6-9-5-3-4-8-11-9/h3-5,8H,2H2,1H3 |
InChI Key: | XOYXKNZOKZGKAB-UHFFFAOYSA-N |
LogP: | 0.99620 |
Publication Number | Title | Priority Date |
CA-2812667-A1 | Triazole derivatives and their use for neurological disorders | 20101109 |
EP-2638029-A1 | Triazole derivatives and their use for neurological disorders | 20101109 |
EP-2638029-B1 | Triazole derivatives and their use for neurological disorders | 20101109 |
US-2012115844-A1 | Novel triazole compounds i | 20101109 |
US-8742097-B2 | Triazole compounds I | 20101109 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.06332853 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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