| CAS Number | 80653-80-1 |
| Catalog Number | AG01AN33(AGN-PC-003PPU) |
| Chemical Name | 3-(Pyridin-4-yl)phenol |
| IUPAC Name | 3-pyridin-4-ylphenol |
| InChI | InChI=1S/C11H9NO/c13-11-3-1-2-10(8-11)9-4-6-12-7-5-9/h1-8,13H |
| InChI Key | PHCYRGIPHDLGCF-UHFFFAOYSA-N |
| MDL Number | MFCD17677605 |
| Molecular Formula | C11H9NO |
| Molecular Weight | 171.1953 |
| SMILES | OC1=CC(C2=CC=NC=C2)=CC=C1 |
| Synonyms | 3-(pyridin-4-yl)phenol,
80653-80-1,
Phenol, 3-(4-pyridinyl)-,
3-pyridin-4-ylphenol,
3-(4-pyridinyl)phenol,
4-(3-hydroxyphenyl)pyridine,
SCHEMBL1138550,
PHCYRGIPHDLGCF-UHFFFAOYSA-N,
ZINC34464348,
AKOS017516304,
Z2217316087,
Phenol,3-(4-pyridinyl)-,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.199g/mol |
| Monoisotopic Mass | 171.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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