Methyl 3-(2-Pyridyl)propiolate - CAS 72764-93-3
Catalog: |
BB034686 |
Product Name: |
Methyl 3-(2-Pyridyl)propiolate |
CAS: |
72764-93-3 |
Synonyms: |
3-(2-pyridinyl)-2-propynoic acid methyl ester; methyl 3-pyridin-2-ylprop-2-ynoate |
IUPAC Name: | methyl 3-pyridin-2-ylprop-2-ynoate |
Description: | Methyl 3-(2-Pyridyl)propiolate (CAS# 72764-93-3) is a useful research chemical. |
Molecular Weight: | 161.16 |
Molecular Formula: | C9H7NO2 |
Canonical SMILES: | COC(=O)C#CC1=CC=CC=N1 |
InChI: | InChI=1S/C9H7NO2/c1-12-9(11)6-5-8-4-2-3-7-10-8/h2-4,7H,1H3 |
InChI Key: | FZFHTWMHKXJIKR-UHFFFAOYSA-N |
Appearance: | White to yellow solid |
LogP: | 0.60610 |
Publication Number | Title | Priority Date |
US-2006106033-A1 | Pyrazolopyridines and methods of making and using the same | 20020906 |
US-7691865-B2 | Pyrazolopyridines and methods of making and using the same | 20020906 |
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 |
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