| CAS Number | 956806-16-9 |
| Catalog Number | AG01A1K3(AGN-PC-0WO4M3) |
| Chemical Name | 1-[4-(1H-Pyrazol-1-yl)phenyl]ethan-1-ol |
| IUPAC Name | 1-(4-pyrazol-1-ylphenyl)ethanol |
| InChI | InChI=1S/C11H12N2O/c1-9(14)10-3-5-11(6-4-10)13-8-2-7-12-13/h2-9,14H,1H3 |
| InChI Key | KQLMFQUYQFHRSI-UHFFFAOYSA-N |
| MDL Number | MFCD08572144 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | CC(C1=CC=C(N2N=CC=C2)C=C1)O |
| Synonyms | 1-[4-(1H-pyrazol-1-yl)phenyl]ethan-1-ol,
956806-16-9,
AKOS003237404,
MCULE-5287097645,
NE49601,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.23g/mol |
| Monoisotopic Mass | 188.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number