Methyl 3-(3-Pyridyl)propiolate - CAS 78584-30-2
Catalog: |
BB036197 |
Product Name: |
Methyl 3-(3-Pyridyl)propiolate |
CAS: |
78584-30-2 |
Synonyms: |
3-(3-pyridinyl)-2-propynoic acid methyl ester; methyl 3-pyridin-3-ylprop-2-ynoate |
IUPAC Name: | methyl 3-pyridin-3-ylprop-2-ynoate |
Description: | Methyl 3-(3-Pyridyl)propiolate (CAS# 78584-30-2) is a useful research chemical. |
Molecular Weight: | 161.16 |
Molecular Formula: | C9H7NO2 |
Canonical SMILES: | COC(=O)C#CC1=CN=CC=C1 |
InChI: | InChI=1S/C9H7NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h2-3,6-7H,1H3 |
InChI Key: | JSDWMTRFFZEDCX-UHFFFAOYSA-N |
LogP: | 0.60610 |
Publication Number | Title | Priority Date |
WO-2019151664-A1 | Rtx toxin production inhibitor and composition for treating symptom of vibrio infection by using same | 20180131 |
CN-101522674-A | Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist | 20060727 |
CN-101522674-B | Novel compounds, pharmaceutically acceptable salts as vanilloid receptor antagonist and pharmaceutical composition comprising the compounds | 20060727 |
WO-2006108040-A1 | Substituted indoles and their use as integrin antagonists | 20050405 |
AU-2002243692-B2 | Substituted indoles and their use as integrin antagonists | 20010129 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.047678466 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS