2-(4-Pyridyl)-4-pentyn-2-ol - CAS 54136-94-6
Catalog: |
BB028517 |
Product Name: |
2-(4-Pyridyl)-4-pentyn-2-ol |
CAS: |
54136-94-6 |
Synonyms: |
2-pyridin-4-yl-4-pentyn-2-ol; 2-pyridin-4-ylpent-4-yn-2-ol |
IUPAC Name: | 2-pyridin-4-ylpent-4-yn-2-ol |
Description: | 2-(4-Pyridyl)-4-pentyn-2-ol (CAS# 54136-94-6 ) is a useful research chemical. |
Molecular Weight: | 161.20 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | CC(CC#C)(C1=CC=NC=C1)O |
InChI: | InChI=1S/C10H11NO/c1-3-6-10(2,12)9-4-7-11-8-5-9/h1,4-5,7-8,12H,6H2,2H3 |
InChI Key: | GMMTYGKDCCGUTH-UHFFFAOYSA-N |
LogP: | 1.31240 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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